1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine

C16H19ClFNS — CID 63776191

IUPAC1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFNS/c1-2-19-14(7-8-15-4-3-9-20-15)10-12-5-6-13(18)11-16(12)17/h3-6,9,11,14,19H,2,7-8,10H2,1H3
InChIKeyFGSDPHXDJQKSTA-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.69
Rot. Bonds7

About 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine

1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 63776191) has the molecular formula C16H19ClFNS and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
PubChem CID63776191
Molecular FormulaC16H19ClFNS
Molecular Weight311.85 g/mol
Exact Mass311.09
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
SMILESCCNC(CCc1cccs1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFNS/c1-2-19-14(7-8-15-4-3-9-20-15)10-12-5-6-13(18)11-16(12)17/h3-6,9,11,14,19H,2,7-8,10H2,1H3
InChIKeyFGSDPHXDJQKSTA-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-ethylpentan-2-amine
CID 62602369
1-(2,6-difluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 115861194
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949
1-(2,5-dichlorophenyl)-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105151513
1-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-N-ethylpropan-2-amine
CID 63411998
1-(2-chloro-5-fluorophenyl)-N-ethyl-4-phenylbutan-2-amine
CID 102618741
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
1-(2-chloro-4-fluorophenyl)-N-ethylnon-8-en-2-amine
CID 107009055
N-ethyl-1-(5-ethylthiophen-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105136134
N-ethyl-1-(3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63775928

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine (CID 63776191) is 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine is CCNC(CCc1cccs1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is FGSDPHXDJQKSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNS/c1-2-19-14(7-8-15-4-3-9-20-15)10-12-5-6-13(18)11-16(12)17/h3-6,9,11,14,19H,2,7-8,10H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine?
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 311.85 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63776191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).