N-benzyl-4-methylaniline

C14H15N — CID 79403

IUPACN-benzyl-4-methylaniline
SMILESCC1=CC=C(C=C1)NCC2=CC=CC=C2
InChIInChI=1S/C14H15N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyKEVOWRWHMCBERP-UHFFFAOYSA-N
MW197.27 g/mol
LogP3.50
Rot. Bonds3

About N-benzyl-4-methylaniline

N-benzyl-4-methylaniline (PubChem CID 79403) has the molecular formula C14H15N and a molecular weight of 197.27 g/mol. Its IUPAC name is N-benzyl-4-methylaniline.

Molecular Properties

Compound NameN-benzyl-4-methylaniline
PubChem CID79403
Molecular FormulaC14H15N
Molecular Weight197.27 g/mol
Exact Mass197.12
IUPAC NameN-benzyl-4-methylaniline
SMILESCC1=CC=C(C=C1)NCC2=CC=CC=C2
InChIInChI=1S/C14H15N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKeyKEVOWRWHMCBERP-UHFFFAOYSA-N
XLogP3.50
TPSA12.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity164

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-4-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Desipramine
CID 2995
Dimethyl-p-toluidine
CID 7471
1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl-
CID 13101
N-Ethylaniline
CID 7670
Bis(p-(dimethylamino)phenyl)methane
CID 7567
N-Isopropylaniline
CID 13032
Dibenz(b,f)azepine
CID 9212
4-Methylacetanilide
CID 7684
4,4'-Bis(1,1,3,3-tetramethylbutyl)diphenylamine
CID 85069
N-Acetyl-4-aminobiphenyl
CID 19998
Iminodibenyl
CID 10308
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methylaniline?
The IUPAC name of N-benzyl-4-methylaniline (CID 79403) is N-benzyl-4-methylaniline.
What is the SMILES notation for N-benzyl-4-methylaniline?
The canonical SMILES for N-benzyl-4-methylaniline is CC1=CC=C(C=C1)NCC2=CC=CC=C2.
What is the InChIKey of N-benzyl-4-methylaniline?
The InChIKey is KEVOWRWHMCBERP-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of N-benzyl-4-methylaniline?
N-benzyl-4-methylaniline has a molecular weight of 197.27 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methylaniline is sourced from PubChem (CID 79403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).