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

C18H21Cl2N — CID 79422312

IUPAC3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(Cl)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C18H21Cl2N/c1-3-21-12-16(15-6-4-5-13(2)9-15)10-14-7-8-17(19)18(20)11-14/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyQWTXGKYZEIILMT-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.24
Rot. Bonds6

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

3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (PubChem CID 79422312) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
PubChem CID79422312
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1ccc(Cl)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C18H21Cl2N/c1-3-21-12-16(15-6-4-5-13(2)9-15)10-14-7-8-17(19)18(20)11-14/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyQWTXGKYZEIILMT-UHFFFAOYSA-N
XLogP5.24
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 ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,5-difluorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 105408371
N-ethyl-2-(3-fluorophenyl)-3-(3-methylphenyl)propan-1-amine
CID 79440444
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
2-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-ethylpropan-1-amine
CID 103041147
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417186
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
N-ethyl-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417900
N-ethyl-3-(2-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417898
3-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(3-methylphenyl)propan-1-amine
CID 79417456
2-(3-bromophenyl)-3-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443421
3-(4-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79417911

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine (CID 79422312) is 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is CCNCC(Cc1ccc(Cl)c(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
The InChIKey is QWTXGKYZEIILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-21-12-16(15-6-4-5-13(2)9-15)10-14-7-8-17(19)18(20)11-14/h4-9,11,16,21H,3,10,12H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine?
3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine has a molecular weight of 322.28 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-ethyl-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 79422312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).