1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine

C17H21NO — CID 105086643

IUPAC1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCOc1cccc(C(N)CCc2cccc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-13-5-3-6-14(11-13)9-10-17(18)15-7-4-8-16(12-15)19-2/h3-8,11-12,17H,9-10,18H2,1-2H3
InChIKeyYOTQNRSARFTTME-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.64
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine

1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine (PubChem CID 105086643) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
PubChem CID105086643
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
SMILESCOc1cccc(C(N)CCc2cccc(C)c2)c1
InChIInChI=1S/C17H21NO/c1-13-5-3-6-14(11-13)9-10-17(18)15-7-4-8-16(12-15)19-2/h3-8,11-12,17H,9-10,18H2,1-2H3
InChIKeyYOTQNRSARFTTME-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648
3-(3-methylphenyl)-1-naphthalen-2-ylpropan-1-amine
CID 105141723
(1R)-2-(3,5-dimethylphenyl)-1-(3-methoxyphenyl)ethanamine
CID 93461868
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-fluoro-4-methylphenyl)-3-(3-methylphenyl)propan-1-amine
CID 107130176
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine (CID 105086643) is 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine is COc1cccc(C(N)CCc2cccc(C)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine?
The InChIKey is YOTQNRSARFTTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13-5-3-6-14(11-13)9-10-17(18)15-7-4-8-16(12-15)19-2/h3-8,11-12,17H,9-10,18H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine?
1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 105086643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).