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

C18H23NO — CID 61262537

IUPAC1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCNC(Cc1ccc(C)cc1)Cc1ccccc1OC
InChIInChI=1S/C18H23NO/c1-14-8-10-15(11-9-14)12-17(19-2)13-16-6-4-5-7-18(16)20-3/h4-11,17,19H,12-13H2,1-3H3
InChIKeyBPETZBPBBPKBKD-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.38
Rot. Bonds6

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

1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine (PubChem CID 61262537) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
PubChem CID61262537
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine
SMILESCNC(Cc1ccc(C)cc1)Cc1ccccc1OC
InChIInChI=1S/C18H23NO/c1-14-8-10-15(11-9-14)12-17(19-2)13-16-6-4-5-7-18(16)20-3/h4-11,17,19H,12-13H2,1-3H3
InChIKeyBPETZBPBBPKBKD-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine (CID 61262537) is 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine is CNC(Cc1ccc(C)cc1)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
The InChIKey is BPETZBPBBPKBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-8-10-15(11-9-14)12-17(19-2)13-16-6-4-5-7-18(16)20-3/h4-11,17,19H,12-13H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine?
1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propan-2-amine is sourced from PubChem (CID 61262537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).