1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C17H20ClNO — CID 65446090

IUPAC1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-19-17(15-5-3-4-6-16(15)18)12-9-13-7-10-14(20-2)11-8-13/h3-8,10-11,17,19H,9,12H2,1-2H3
InChIKeyUWFUXILWUZDEGZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.24
Rot. Bonds6

About 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 65446090) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID65446090
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNC(CCc1ccc(OC)cc1)c1ccccc1Cl
InChIInChI=1S/C17H20ClNO/c1-19-17(15-5-3-4-6-16(15)18)12-9-13-7-10-14(20-2)11-8-13/h3-8,10-11,17,19H,9,12H2,1-2H3
InChIKeyUWFUXILWUZDEGZ-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43561916
1-(2-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864663
1-(2-chloro-5-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 105397498
1-(3-bromo-2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115864754
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 65446088
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
1-(2,3-dichlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 63417262
1-(2,4-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 43483666
1-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 43482663
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
1-(3-chloro-4-iodophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 103215411
1-(2-chlorophenyl)-N-methylbutan-1-amine
CID 61030154

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 65446090) is 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNC(CCc1ccc(OC)cc1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is UWFUXILWUZDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19-17(15-5-3-4-6-16(15)18)12-9-13-7-10-14(20-2)11-8-13/h3-8,10-11,17,19H,9,12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 65446090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).