N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine

C17H21NO — CID 43489086

IUPACN-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H21NO/c1-4-18-17(14-8-6-5-7-9-14)15-11-10-13(2)16(12-15)19-3/h5-12,17-18H,4H2,1-3H3
InChIKeyAALBXNBCZOAXJD-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.70
Rot. Bonds5

About N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine

N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine (PubChem CID 43489086) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
PubChem CID43489086
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H21NO/c1-4-18-17(14-8-6-5-7-9-14)15-11-10-13(2)16(12-15)19-3/h5-12,17-18H,4H2,1-3H3
InChIKeyAALBXNBCZOAXJD-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine 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

N-[(3-methoxy-4-methylphenyl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991351
N-[(3,4-dimethoxyphenyl)-phenylmethyl]propan-1-amine
CID 43494597
N-[(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 43489971
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 43488776
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(3-methoxy-4-methylphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115794735
N-[(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105031993
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(4-fluoro-3-methoxyphenyl)-(4-fluoro-3-methylphenyl)methyl]ethanamine
CID 81288473
N-[(3-bromo-4-methoxyphenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487806
N-[(2,6-dimethoxyphenyl)-phenylmethyl]ethanamine
CID 43489150

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine (CID 43489086) is N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1ccc(C)c(OC)c1.
What is the InChIKey of N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine?
The InChIKey is AALBXNBCZOAXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-18-17(14-8-6-5-7-9-14)15-11-10-13(2)16(12-15)19-3/h5-12,17-18H,4H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine?
N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-methylphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43489086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).