N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine

C17H19Cl2NO — CID 43562132

IUPACN-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-10-20-17(13-6-4-5-7-15(13)18)14-9-8-12(21-2)11-16(14)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyOKANBZQBVRNQNG-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.09
Rot. Bonds6

About N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine

N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine (PubChem CID 43562132) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
PubChem CID43562132
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccccc1Cl)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-10-20-17(13-6-4-5-7-15(13)18)14-9-8-12(21-2)11-16(14)19/h4-9,11,17,20H,3,10H2,1-2H3
InChIKeyOKANBZQBVRNQNG-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[(2-chloro-4-methoxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]propan-1-amine
CID 107960852
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 63503730
1-(2-chloro-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 43562163
N-[(2-chlorophenyl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 63415844
N-[(2-chlorophenyl)-(2-iodophenyl)methyl]propan-1-amine
CID 115800974
N-[(3-chloro-2-methylphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 107102062
N-[(2-chlorophenyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 115801024
N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine (CID 43562132) is N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine is CCCNC(c1ccccc1Cl)c1ccc(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
The InChIKey is OKANBZQBVRNQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-10-20-17(13-6-4-5-7-15(13)18)14-9-8-12(21-2)11-16(14)19/h4-9,11,17,20H,3,10H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine?
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43562132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).