1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine

C18H21Cl2N — CID 105076952

IUPAC1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-21-18(15-9-10-16(19)17(20)12-15)11-8-14-6-4-13(2)5-7-14/h4-7,9-10,12,18,21H,3,8,11H2,1-2H3
InChIKeyUALIAJWPXOCJIO-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.59
Rot. Bonds6

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

1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105076952) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105076952
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
SMILESCCNC(CCc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H21Cl2N/c1-3-21-18(15-9-10-16(19)17(20)12-15)11-8-14-6-4-13(2)5-7-14/h4-7,9-10,12,18,21H,3,8,11H2,1-2H3
InChIKeyUALIAJWPXOCJIO-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.28
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105106501
1-(3,5-dimethylphenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105097119
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105397098
N-ethyl-3-(4-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 105098484
N-ethyl-1-(5-fluoro-3-pyridinyl)-3-(4-methylphenyl)propan-1-amine
CID 105102454
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105183226
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
N-[1-(3,4-dichlorophenyl)propyl]-4-methylaniline
CID 43765753
1-(3,4-dichlorophenyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 81491853
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-ethyl-3-(2-methylphenyl)-1-(4-methylphenyl)propan-1-amine
CID 105092556

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine (CID 105076952) is 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is CCNC(CCc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is UALIAJWPXOCJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-21-18(15-9-10-16(19)17(20)12-15)11-8-14-6-4-13(2)5-7-14/h4-7,9-10,12,18,21H,3,8,11H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine?
1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N-ethyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105076952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).