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

C17H21NO — CID 62315348

IUPACN-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCOc1cccc(CNCCc2cccc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-14-5-3-6-15(11-14)9-10-18-13-16-7-4-8-17(12-16)19-2/h3-8,11-12,18H,9-10,13H2,1-2H3
InChIKeyPYOUBBDLHKATFW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.34
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine (PubChem CID 62315348) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
PubChem CID62315348
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
SMILESCOc1cccc(CNCCc2cccc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-14-5-3-6-15(11-14)9-10-18-13-16-7-4-8-17(12-16)19-2/h3-8,11-12,18H,9-10,13H2,1-2H3
InChIKeyPYOUBBDLHKATFW-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

2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 107852234
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2-(3-methylphenyl)ethanamine
CID 82893446
2-(1,3-benzodioxol-5-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 2165894

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine (CID 62315348) is N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine is COc1cccc(CNCCc2cccc(C)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine?
The InChIKey is PYOUBBDLHKATFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-14-5-3-6-15(11-14)9-10-18-13-16-7-4-8-17(12-16)19-2/h3-8,11-12,18H,9-10,13H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine?
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)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 N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 62315348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).