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

C17H19Cl2N — CID 63400282

IUPAC3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-20-17(14-6-4-3-5-7-14)11-9-13-8-10-15(18)12-16(13)19/h3-8,10,12,17,20H,2,9,11H2,1H3
InChIKeyLHGTYCZXLPVWKP-UHFFFAOYSA-N
MW308.25 g/mol
LogP5.28
Rot. Bonds6

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

3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine (PubChem CID 63400282) has the molecular formula C17H19Cl2N and a molecular weight of 308.25 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
PubChem CID63400282
Molecular FormulaC17H19Cl2N
Molecular Weight308.25 g/mol
Exact Mass307.09
IUPAC Name3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine
SMILESCCNC(CCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C17H19Cl2N/c1-2-20-17(14-6-4-3-5-7-14)11-9-13-8-10-15(18)12-16(13)19/h3-8,10,12,17,20H,2,9,11H2,1H3
InChIKeyLHGTYCZXLPVWKP-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.25
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
3-(4-bromo-3-chloro-2-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 106763459
1-(2,4-dichlorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 60819236
2-(2,4-dichlorophenyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 115839956
2-(2,4-dichlorophenyl)-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 60818340
[2-(2,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199352
(1R)-N-[[2-[(2,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-1-phenylbutan-1-amine
CID 124823989
N-ethyl-3-(2-methoxy-5-methylphenyl)-1-phenylpropan-1-amine
CID 62159966
1-(2,4-dichlorophenyl)-N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 38009978

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine (CID 63400282) is 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine is CCNC(CCc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine?
The InChIKey is LHGTYCZXLPVWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N/c1-2-20-17(14-6-4-3-5-7-14)11-9-13-8-10-15(18)12-16(13)19/h3-8,10,12,17,20H,2,9,11H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine?
3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine has a molecular weight of 308.25 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-ethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 63400282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).