1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine

C18H23NO2 — CID 82782325

IUPAC1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H23NO2/c1-5-16(19-2)14-11-9-13(10-12-14)15-7-6-8-17(20-3)18(15)21-4/h6-12,16,19H,5H2,1-4H3
InChIKeyALXFTLNNPRAVKJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.04
Rot. Bonds6

About 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine

1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine (PubChem CID 82782325) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine
PubChem CID82782325
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cccc(OC)c2OC)cc1
InChIInChI=1S/C18H23NO2/c1-5-16(19-2)14-11-9-13(10-12-14)15-7-6-8-17(20-3)18(15)21-4/h6-12,16,19H,5H2,1-4H3
InChIKeyALXFTLNNPRAVKJ-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine (CID 82782325) is 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cccc(OC)c2OC)cc1.
What is the InChIKey of 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine?
The InChIKey is ALXFTLNNPRAVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-16(19-2)14-11-9-13(10-12-14)15-7-6-8-17(20-3)18(15)21-4/h6-12,16,19H,5H2,1-4H3.
What are the key properties of 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine?
1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethoxyphenyl)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 82782325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).