2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine

C18H23NO — CID 62529007

IUPAC2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-14-6-3-4-8-17(14)11-16(13-19)10-15-7-5-9-18(12-15)20-2/h3-9,12,16H,10-11,13,19H2,1-2H3
InChIKeyDUIOTARSQURPQP-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.36
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine

2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine (PubChem CID 62529007) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
PubChem CID62529007
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2ccccc2C)c1
InChIInChI=1S/C18H23NO/c1-14-6-3-4-8-17(14)11-16(13-19)10-15-7-5-9-18(12-15)20-2/h3-9,12,16H,10-11,13,19H2,1-2H3
InChIKeyDUIOTARSQURPQP-UHFFFAOYSA-N
XLogP3.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 62503999
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
3-(4-methylphenyl)-2-[(2-methylphenyl)methyl]propan-1-amine
CID 62504004
2-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-4-fluoro-1-methylbenzene
CID 105376013
2-[(4-ethylphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 63496886
4-ethoxy-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62529202
2-[(4-bromothiophen-2-yl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 55083986
2-[(3-methoxyphenyl)methyl]-4-methylsulfonylbutan-1-amine
CID 62529808
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methoxyphenyl)propan-1-amine
CID 104810378
2-(3-methoxyphenyl)-1-(2-methylphenyl)ethanol
CID 61262736
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
1-(5-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 105373754

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine (CID 62529007) is 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine is COc1cccc(CC(CN)Cc2ccccc2C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
The InChIKey is DUIOTARSQURPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-6-3-4-8-17(14)11-16(13-19)10-15-7-5-9-18(12-15)20-2/h3-9,12,16H,10-11,13,19H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine?
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 62529007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).