3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine

C17H20ClNO — CID 116772583

IUPAC3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)C(OC)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-19-16(12-14-10-6-7-11-15(14)18)17(20-2)13-8-4-3-5-9-13/h3-11,16-17,19H,12H2,1-2H3
InChIKeyXKCHMCDJSGAQQQ-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.86
Rot. Bonds6

About 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine

3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine (PubChem CID 116772583) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
PubChem CID116772583
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)C(OC)c1ccccc1
InChIInChI=1S/C17H20ClNO/c1-19-16(12-14-10-6-7-11-15(14)18)17(20-2)13-8-4-3-5-9-13/h3-11,16-17,19H,12H2,1-2H3
InChIKeyXKCHMCDJSGAQQQ-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromo-3-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772577
3-(furan-3-yl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772578
3-(3-bromo-5-fluorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine
CID 116772571
1-methoxy-N-methyl-3-(oxan-4-yl)-1-phenylpropan-2-amine
CID 116772559
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
[3-(2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 105278665
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
3-(2-chlorophenyl)-1,1-dimethoxypropan-2-amine
CID 79492735
3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 66467241
1-(3-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772654
3-(3-chlorophenyl)-N-ethyl-1-methoxy-1-phenylpropan-2-amine
CID 116773119

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine (CID 116772583) is 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine is CNC(Cc1ccccc1Cl)C(OC)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
The InChIKey is XKCHMCDJSGAQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19-16(12-14-10-6-7-11-15(14)18)17(20-2)13-8-4-3-5-9-13/h3-11,16-17,19H,12H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine?
3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-methoxy-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 116772583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).