2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine

C18H23NO — CID 62503999

IUPAC2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO/c1-14-6-8-15(9-7-14)10-17(13-19)11-16-4-3-5-18(12-16)20-2/h3-9,12,17H,10-11,13,19H2,1-2H3
InChIKeyQUYMMOPNKQPRRI-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.36
Rot. Bonds6

About 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine

2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine (PubChem CID 62503999) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
PubChem CID62503999
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine
SMILESCOc1cccc(CC(CN)Cc2ccc(C)cc2)c1
InChIInChI=1S/C18H23NO/c1-14-6-8-15(9-7-14)10-17(13-19)11-16-4-3-5-18(12-16)20-2/h3-9,12,17H,10-11,13,19H2,1-2H3
InChIKeyQUYMMOPNKQPRRI-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

1-[2-(chloromethyl)-3-(3-methoxyphenyl)propyl]-4-methylbenzene
CID 66033705
2-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62529007
2-benzyl-3-(4-methylphenyl)propan-1-amine
CID 62504695
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
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
2-[(3-methoxyphenyl)methyl]-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107052825
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(3,4-dichlorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 63496513
2-[(3,4-difluorophenyl)methyl]-3-(4-methylphenyl)propan-1-amine
CID 82930150

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine (CID 62503999) is 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine is COc1cccc(CC(CN)Cc2ccc(C)cc2)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
The InChIKey is QUYMMOPNKQPRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-6-8-15(9-7-14)10-17(13-19)11-16-4-3-5-18(12-16)20-2/h3-9,12,17H,10-11,13,19H2,1-2H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-amine?
2-[(3-methoxyphenyl)methyl]-3-(4-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-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 62503999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).