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5405-15-2 molecular structure
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N-benzyl-4-methylaniline

ChemBase ID: 243969
Molecular Formular: C14H15N
Molecular Mass: 197.2756
Monoisotopic Mass: 197.12044949
SMILES and InChIs

SMILES:
N(c1ccc(cc1)C)Cc1ccccc1
Canonical SMILES:
Cc1ccc(cc1)NCc1ccccc1
InChI:
InChI=1S/C14H15N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey:
KEVOWRWHMCBERP-UHFFFAOYSA-N

Cite this record

CBID:243969 http://www.chembase.cn/molecule-243969.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-4-methylaniline
IUPAC Traditional name
benzyl-p-tolyl-amine
Synonyms
N-benzyl-N-(4-methylphenyl)amine
CAS Number
5405-15-2
MDL Number
MFCD00870620
PubChem SID
164299879
PubChem CID
79403

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-11944 external link Add to cart Please log in.
Data Source Data ID
PubChem 79403 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.65413  LogD (pH = 7.4) 3.6835303 
Log P 3.6839185  Molar Refractivity 65.9056 cm3
Polarizability 24.750038 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.588 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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