3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine

C18H21Cl2N — CID 79430391

IUPAC3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-21-12-16(14-6-4-13(2)5-7-14)10-15-11-17(19)8-9-18(15)20/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyUPICEGNJLQDKBO-UHFFFAOYSA-N
MW322.28 g/mol
LogP5.24
Rot. Bonds6

About 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine

3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 79430391) has the molecular formula C18H21Cl2N and a molecular weight of 322.28 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
PubChem CID79430391
Molecular FormulaC18H21Cl2N
Molecular Weight322.28 g/mol
Exact Mass321.11
IUPAC Name3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
SMILESCCNCC(Cc1cc(Cl)ccc1Cl)c1ccc(C)cc1
InChIInChI=1S/C18H21Cl2N/c1-3-21-12-16(14-6-4-13(2)5-7-14)10-15-11-17(19)8-9-18(15)20/h4-9,11,16,21H,3,10,12H2,1-2H3
InChIKeyUPICEGNJLQDKBO-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-(2-chlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79435732
3-(2,5-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79437313
3-(5-chloro-2-fluorophenyl)-N-ethyl-2-phenylpropan-1-amine
CID 103049753
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
2-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanol
CID 65316953
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626
2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-N-methylpropan-1-amine
CID 79442168
2-(4-bromophenyl)-3-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79433065
2-(4-chlorophenyl)-N-ethyl-3-(5-ethylthiophen-2-yl)propan-1-amine
CID 79441550
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
3-(2,5-dichlorophenyl)-2-methyl-N-propylpropan-1-amine
CID 64666245

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine (CID 79430391) is 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine is CCNCC(Cc1cc(Cl)ccc1Cl)c1ccc(C)cc1.
What is the InChIKey of 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is UPICEGNJLQDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N/c1-3-21-12-16(14-6-4-13(2)5-7-14)10-15-11-17(19)8-9-18(15)20/h4-9,11,16,21H,3,10,12H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine?
3-(2,5-dichlorophenyl)-N-ethyl-2-(4-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-(2,5-dichlorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79430391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).