3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine

C18H22ClN — CID 79435732

IUPAC3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN/c1-3-20-13-17(15-10-8-14(2)9-11-15)12-16-6-4-5-7-18(16)19/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyBQEAEJDMIHFNTO-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.58
Rot. Bonds6

About 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine

3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 79435732) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
PubChem CID79435732
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H22ClN/c1-3-20-13-17(15-10-8-14(2)9-11-15)12-16-6-4-5-7-18(16)19/h4-11,17,20H,3,12-13H2,1-2H3
InChIKeyBQEAEJDMIHFNTO-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430391
1-[1-bromo-3-(2-chlorophenyl)propan-2-yl]-4-methylbenzene
CID 79436619
3-(3-chloro-2-fluorophenyl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 102859054
3-(2-chlorophenyl)-2-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79432134
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
3-(2,6-dichlorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 65429482
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
N-[2-(2-chlorophenyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 43495095
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79433065

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine (CID 79435732) is 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine is CCNCC(Cc1ccccc1Cl)c1ccc(C)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is BQEAEJDMIHFNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-20-13-17(15-10-8-14(2)9-11-15)12-16-6-4-5-7-18(16)19/h4-11,17,20H,3,12-13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 287.83 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79435732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).