2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine

C17H21NO — CID 39357471

IUPAC2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-14-6-3-4-8-16(14)13-18-11-10-15-7-5-9-17(12-15)19-2/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyKOPAPFKPWNBWPF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.34
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine

2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine (PubChem CID 39357471) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
PubChem CID39357471
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2ccccc2C)c1
InChIInChI=1S/C17H21NO/c1-14-6-3-4-8-16(14)13-18-11-10-15-7-5-9-17(12-15)19-2/h3-9,12,18H,10-11,13H2,1-2H3
InChIKeyKOPAPFKPWNBWPF-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
3-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 109019095
1-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111360331
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
4-methoxy-2-[2-(3-methoxyphenyl)ethyl]-1-methylbenzene
CID 13300063
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
2-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine;oxalic acid
CID 17367721
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
2-(3,5-difluorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 62316053
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188265

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine (CID 39357471) is 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine is COc1cccc(CCNCc2ccccc2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
The InChIKey is KOPAPFKPWNBWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-6-3-4-8-16(14)13-18-11-10-15-7-5-9-17(12-15)19-2/h3-9,12,18H,10-11,13H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine?
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 39357471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).