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

C18H22ClN — CID 43495095

IUPACN-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN/c1-3-12-20-18(15-10-8-14(2)9-11-15)13-16-6-4-5-7-17(16)19/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyRWUXXNWCWAVZLO-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.93
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine (PubChem CID 43495095) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
PubChem CID43495095
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN/c1-3-12-20-18(15-10-8-14(2)9-11-15)13-16-6-4-5-7-17(16)19/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyRWUXXNWCWAVZLO-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-[2-(2-chlorophenyl)-1-(4-iodophenyl)ethyl]propan-1-amine
CID 63528586
N-[2-(2-chlorophenyl)-1-(3,5-dimethylphenyl)ethyl]propan-1-amine
CID 63415367
N-[2-(2-chlorophenyl)-1-(3,5-dibromophenyl)ethyl]propan-1-amine
CID 107973808
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
N-[2-(2-chlorophenyl)-1-(2-iodophenyl)ethyl]propan-1-amine
CID 63527893
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(2-chloro-5-fluorophenyl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 105394824
N-[2-(2-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]propan-1-amine
CID 63504146
N-[2-(2-chlorophenyl)-1-(2,3-dihydrofuran-5-yl)ethyl]propan-1-amine
CID 102651394
N-[1-(3-bromo-4-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 115567846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine (CID 43495095) is N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1ccccc1Cl)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine?
The InChIKey is RWUXXNWCWAVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-12-20-18(15-10-8-14(2)9-11-15)13-16-6-4-5-7-17(16)19/h4-11,18,20H,3,12-13H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine?
N-[2-(2-chlorophenyl)-1-(4-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-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43495095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).