1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine

C18H23NO2 — CID 43483666

IUPAC1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-19-17(12-9-14-7-5-4-6-8-14)16-11-10-15(20-2)13-18(16)21-3/h4-8,10-11,13,17,19H,9,12H2,1-3H3
InChIKeyGYUPDYDKVXPQGY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine

1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 43483666) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID43483666
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1ccc(OC)cc1OC
InChIInChI=1S/C18H23NO2/c1-19-17(12-9-14-7-5-4-6-8-14)16-11-10-15(20-2)13-18(16)21-3/h4-8,10-11,13,17,19H,9,12H2,1-3H3
InChIKeyGYUPDYDKVXPQGY-UHFFFAOYSA-N
XLogP3.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
4-(2,4-dimethoxyphenyl)-4-(methylamino)butan-1-ol
CID 116952940
1-(4-bromo-2-methoxyphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849428
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223
1-(2,4-dimethoxyphenyl)-N-methylheptan-1-amine
CID 114752343
1-(2,4-dimethoxyphenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030629
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
3-(3-methoxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 54891056
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
1-(2,4-dimethoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115863936

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine (CID 43483666) is 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is GYUPDYDKVXPQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19-17(12-9-14-7-5-4-6-8-14)16-11-10-15(20-2)13-18(16)21-3/h4-8,10-11,13,17,19H,9,12H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 43483666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).