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

C18H22ClN — CID 60819521

IUPACN-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-11-20-18(16-9-6-10-17(19)12-16)13-15-8-5-4-7-14(15)2/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyICCKPCWUVLAUCD-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.93
Rot. Bonds6

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

N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 60819521) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID60819521
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1C)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-11-20-18(16-9-6-10-17(19)12-16)13-15-8-5-4-7-14(15)2/h4-10,12,18,20H,3,11,13H2,1-2H3
InChIKeyICCKPCWUVLAUCD-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105373665
N-[1-(4-fluoro-3-methylphenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63413503
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846
1-(3-chlorophenyl)-3-(2-methylphenyl)-N-propylpropan-2-amine
CID 60817944
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[2-(4-chloro-2-fluorophenyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 114855297
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63526752
N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N-[1-(2-chloro-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63420114
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine (CID 60819521) is N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is ICCKPCWUVLAUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-11-20-18(16-9-6-10-17(19)12-16)13-15-8-5-4-7-14(15)2/h4-10,12,18,20H,3,11,13H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine?
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60819521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).