N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine

C17H21NO — CID 54912220

IUPACN-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccccc2C)ccc1OC
InChIInChI=1S/C17H21NO/c1-4-18-12-15-11-14(9-10-17(15)19-3)16-8-6-5-7-13(16)2/h5-11,18H,4,12H2,1-3H3
InChIKeyYTJVCUYXNPAISC-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.78
Rot. Bonds5

About N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine

N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 54912220) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
PubChem CID54912220
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cc(-c2ccccc2C)ccc1OC
InChIInChI=1S/C17H21NO/c1-4-18-12-15-11-14(9-10-17(15)19-3)16-8-6-5-7-13(16)2/h5-11,18H,4,12H2,1-3H3
InChIKeyYTJVCUYXNPAISC-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]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

4-[[2-methoxy-5-(2-methylphenyl)phenyl]methylamino]butanoic acid
CID 122035882
N-[[2-methoxy-5-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 66278387
2-[[[2-methoxy-5-(2-methylphenyl)phenyl]methylamino]methyl]-4-methylpentanoic acid
CID 122073380
(2R)-2-[[2-methoxy-5-(2-methylphenyl)phenyl]methylamino]-3-methylbutanoic acid
CID 122124270
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]ethanamine
CID 63428117
N-[[5-(4-bromothiophen-3-yl)-2-methoxyphenyl]methyl]ethanamine
CID 79601552
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
N-[[3-(4-methoxy-3-methylphenyl)-4-methylphenyl]methyl]ethanamine
CID 105409944
N-[(5-iodo-2-methoxyphenyl)methyl]ethanamine
CID 82552100
N-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63989406
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine (CID 54912220) is N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine is CCNCc1cc(-c2ccccc2C)ccc1OC.
What is the InChIKey of N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is YTJVCUYXNPAISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-4-18-12-15-11-14(9-10-17(15)19-3)16-8-6-5-7-13(16)2/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine?
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 54912220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).