3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine

C17H20ClNO — CID 141113717

IUPAC3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine
SMILESCNCC(OC)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-19-12-16(20-2)17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,19H,12H2,1-2H3
InChIKeyIONHIQJZNGNIFT-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.71
Rot. Bonds6

About 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine

3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine (PubChem CID 141113717) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine
PubChem CID141113717
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine
SMILESCNCC(OC)C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-19-12-16(20-2)17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,19H,12H2,1-2H3
InChIKeyIONHIQJZNGNIFT-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine (CID 141113717) is 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine is CNCC(OC)C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine?
The InChIKey is IONHIQJZNGNIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19-12-16(20-2)17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,19H,12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine?
3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-methoxy-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 141113717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).