1,2-bis(4-methoxyphenyl)propan-2-amine

C17H21NO2 — CID 63273092

IUPAC1,2-bis(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-17(18,14-6-10-16(20-3)11-7-14)12-13-4-8-15(19-2)9-5-13/h4-11H,12,18H2,1-3H3
InChIKeySKAKSVRUNWLVHE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.12
Rot. Bonds5

About 1,2-bis(4-methoxyphenyl)propan-2-amine

1,2-bis(4-methoxyphenyl)propan-2-amine (PubChem CID 63273092) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1,2-bis(4-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1,2-bis(4-methoxyphenyl)propan-2-amine
PubChem CID63273092
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1,2-bis(4-methoxyphenyl)propan-2-amine
SMILESCOc1ccc(CC(C)(N)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-17(18,14-6-10-16(20-3)11-7-14)12-13-4-8-15(19-2)9-5-13/h4-11H,12,18H2,1-3H3
InChIKeySKAKSVRUNWLVHE-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273223
1-(4-methoxyphenyl)-2-(6-methyl-3-pyridinyl)propan-2-amine
CID 55169860
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)propan-2-amine
CID 63273344
but-2-enedioic acid;2-(4-methoxyphenyl)-1-phenylpropan-2-amine
CID 67712155
1-[1,3-bis(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]propan-2-yl]-4-methoxybenzene
CID 71248389
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
CID 79702014
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
2-amino-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 22961263
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
2-amino-3-(4-methoxyphenyl)-2-methylpropanenitrile
CID 14989929
1-(2-bromo-5-methoxyphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 65327325

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methoxyphenyl)propan-2-amine?
The IUPAC name of 1,2-bis(4-methoxyphenyl)propan-2-amine (CID 63273092) is 1,2-bis(4-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1,2-bis(4-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1,2-bis(4-methoxyphenyl)propan-2-amine is COc1ccc(CC(C)(N)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1,2-bis(4-methoxyphenyl)propan-2-amine?
The InChIKey is SKAKSVRUNWLVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(18,14-6-10-16(20-3)11-7-14)12-13-4-8-15(19-2)9-5-13/h4-11H,12,18H2,1-3H3.
What are the key properties of 1,2-bis(4-methoxyphenyl)propan-2-amine?
1,2-bis(4-methoxyphenyl)propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 63273092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).