1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine

C15H17Cl2NS — CID 63412354

IUPAC1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C15H17Cl2NS/c1-2-13-5-6-14(19-13)9-12(18)7-10-3-4-11(16)8-15(10)17/h3-6,8,12H,2,7,9,18H2,1H3
InChIKeyWIUHYDCROPJMKA-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.73
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine

1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine (PubChem CID 63412354) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
PubChem CID63412354
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
SMILESCCc1ccc(CC(N)Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C15H17Cl2NS/c1-2-13-5-6-14(19-13)9-12(18)7-10-3-4-11(16)8-15(10)17/h3-6,8,12H,2,7,9,18H2,1H3
InChIKeyWIUHYDCROPJMKA-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 64561389
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
[1-(2,5-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296377
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(2,4-dichlorophenyl)-3,3-dimethylbutan-2-amine
CID 62395202
1-(2,4-dichlorophenyl)-3-(1-ethylimidazol-2-yl)propan-2-amine
CID 79751664
1-(2,6-dichlorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 115842355
1-(2,4-dichlorophenyl)-3,3-dimethylpentan-2-amine
CID 115840191
1-(5-ethylthiophen-2-yl)tridecan-2-amine
CID 115842421
[1-(5-chloro-2-methylphenyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105296511
1-(2-chloro-4-fluorophenyl)-3-(5-ethylthiophen-2-yl)-N-methylpropan-2-amine
CID 63035807
1-(5-ethylthiophen-2-yl)-3-(4-methoxyphenyl)propan-2-amine
CID 62602516

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine (CID 63412354) is 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine is CCc1ccc(CC(N)Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
The InChIKey is WIUHYDCROPJMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NS/c1-2-13-5-6-14(19-13)9-12(18)7-10-3-4-11(16)8-15(10)17/h3-6,8,12H,2,7,9,18H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine?
1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine has a molecular weight of 314.28 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 63412354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).