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

C18H23NO2 — CID 105094223

IUPAC1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1cccc(OC)c1OC
InChIInChI=1S/C18H23NO2/c1-19-16(13-12-14-8-5-4-6-9-14)15-10-7-11-17(20-2)18(15)21-3/h4-11,16,19H,12-13H2,1-3H3
InChIKeyFAKQYMPOGFWUOV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds7

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

1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine (PubChem CID 105094223) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
PubChem CID105094223
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
SMILESCNC(CCc1ccccc1)c1cccc(OC)c1OC
InChIInChI=1S/C18H23NO2/c1-19-16(13-12-14-8-5-4-6-9-14)15-10-7-11-17(20-2)18(15)21-3/h4-11,16,19H,12-13H2,1-3H3
InChIKeyFAKQYMPOGFWUOV-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-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
1-(2,3-dimethoxyphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105190249
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2-methoxy-5-methylphenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 105144092
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43480319
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
1-(2-tert-butylphenyl)-N-methyl-3-phenylpropan-1-amine
CID 115794483
1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
4-(2-methoxyphenyl)-4-(methylamino)butanoic acid
CID 112517908
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine (CID 105094223) is 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine is CNC(CCc1ccccc1)c1cccc(OC)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
The InChIKey is FAKQYMPOGFWUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19-16(13-12-14-8-5-4-6-9-14)15-10-7-11-17(20-2)18(15)21-3/h4-11,16,19H,12-13H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine?
1-(2,3-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-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 105094223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).