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

C18H22ClN — CID 60819352

IUPAC1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-20-18(12-15-7-4-6-14(2)10-15)13-16-8-5-9-17(19)11-16/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyGJKXQOIODWPTIN-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.41
Rot. Bonds6

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

1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine (PubChem CID 60819352) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
PubChem CID60819352
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
SMILESCCNC(Cc1cccc(C)c1)Cc1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-20-18(12-15-7-4-6-14(2)10-15)13-16-8-5-9-17(19)11-16/h4-11,18,20H,3,12-13H2,1-2H3
InChIKeyGJKXQOIODWPTIN-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
1-(3-chlorophenyl)-N-ethyl-3-thiophen-3-ylpropan-2-amine
CID 55095489
1-(3-chlorophenyl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 61392785
1-(3-chlorophenyl)-N-ethyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373667
1-(3-chlorophenyl)-N-ethyldecan-2-amine
CID 63412164
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128510
N-ethyl-1-(furan-2-yl)-3-(3-methylphenyl)propan-2-amine
CID 83175711
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
1-(3-bromothiophen-2-yl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63412081
2-(3-chlorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 62503419

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine (CID 60819352) is 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine is CCNC(Cc1cccc(C)c1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
The InChIKey is GJKXQOIODWPTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-20-18(12-15-7-4-6-14(2)10-15)13-16-8-5-9-17(19)11-16/h4-11,18,20H,3,12-13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine?
1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine has a molecular weight of 287.83 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-(3-methylphenyl)propan-2-amine is sourced from PubChem (CID 60819352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).