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

C18H22ClN — CID 105106501

IUPAC1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-20-18(16-5-4-6-17(19)13-16)12-11-15-9-7-14(2)8-10-15/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyASBLUMZKVLDMCY-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.93
Rot. Bonds6

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

1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105106501) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105106501
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-3-20-18(16-5-4-6-17(19)13-16)12-11-15-9-7-14(2)8-10-15/h4-10,13,18,20H,3,11-12H2,1-2H3
InChIKeyASBLUMZKVLDMCY-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

1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105076952
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555
1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
CID 23322179
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
1-(3-bromophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 54919438
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
CID 63412580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (CID 105106501) is 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is CCNC(CCc1ccc(C)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is ASBLUMZKVLDMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-20-18(16-5-4-6-17(19)13-16)12-11-15-9-7-14(2)8-10-15/h4-10,13,18,20H,3,11-12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)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 1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105106501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).