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

C18H22ClNO — CID 107850157

IUPAC1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1cccc(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-18(15-7-9-16(19)10-8-15)20-12-11-14-5-4-6-17(13-14)21-2/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyYTQYPMNBXWAYSX-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.63
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine (PubChem CID 107850157) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
PubChem CID107850157
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine
SMILESCCC(NCCc1cccc(OC)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO/c1-3-18(15-7-9-16(19)10-8-15)20-12-11-14-5-4-6-17(13-14)21-2/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyYTQYPMNBXWAYSX-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43565900
1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43823991
1-(3,4-dichlorophenyl)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 60872413
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
N-[(4-chlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 43494797
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43078211
2-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17208566
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
N-ethyl-3-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 60996666
1-(4-bromophenyl)-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 63478154

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine (CID 107850157) is 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine is CCC(NCCc1cccc(OC)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine?
The InChIKey is YTQYPMNBXWAYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-18(15-7-9-16(19)10-8-15)20-12-11-14-5-4-6-17(13-14)21-2/h4-10,13,18,20H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine?
1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 107850157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).