N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine

C17H19Cl2NO — CID 43562127

IUPACN-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-9-20-17(12-5-4-6-13(18)10-12)15-8-7-14(21-2)11-16(15)19/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyFISASZOMOWKXFX-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.09
Rot. Bonds6

About N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine

N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine (PubChem CID 43562127) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
PubChem CID43562127
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1ccc(OC)cc1Cl
InChIInChI=1S/C17H19Cl2NO/c1-3-9-20-17(12-5-4-6-13(18)10-12)15-8-7-14(21-2)11-16(15)19/h4-8,10-11,17,20H,3,9H2,1-2H3
InChIKeyFISASZOMOWKXFX-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-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
5-methoxy-2-[phenyl(propylamino)methyl]phenol
CID 24705349
N-[(2-chloro-4-methoxyphenyl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 63503730

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine (CID 43562127) is N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1ccc(OC)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine?
The InChIKey is FISASZOMOWKXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-3-9-20-17(12-5-4-6-13(18)10-12)15-8-7-14(21-2)11-16(15)19/h4-8,10-11,17,20H,3,9H2,1-2H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine?
N-[(2-chloro-4-methoxyphenyl)-(3-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)-(3-chlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 43562127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).