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

C17H20ClNO — CID 43494797

IUPACN-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cccc(OC)c1
InChIInChI=1S/C17H20ClNO/c1-3-11-19-17(13-7-9-15(18)10-8-13)14-5-4-6-16(12-14)20-2/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyDMNUWHBZFVUBHI-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.44
Rot. Bonds6

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

N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (PubChem CID 43494797) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
PubChem CID43494797
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)c1cccc(OC)c1
InChIInChI=1S/C17H20ClNO/c1-3-11-19-17(13-7-9-15(18)10-8-13)14-5-4-6-16(12-14)20-2/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyDMNUWHBZFVUBHI-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
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-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(2-bromo-4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 107991862
N-[(2-chloro-4-methoxyphenyl)-(3-chlorophenyl)methyl]propan-1-amine
CID 43562127
N-[(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 43561563
N-[(2-fluorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 62501795
N-[(3-bromo-4-methoxyphenyl)-(4-chlorophenyl)methyl]propan-1-amine
CID 43493876
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(2-fluoro-4-methylphenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785590
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
N-[(2-chloro-4-methoxyphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43562123
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine (CID 43494797) is N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is DMNUWHBZFVUBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-11-19-17(13-7-9-15(18)10-8-13)14-5-4-6-16(12-14)20-2/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine?
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43494797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).