1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine

C15H17ClFNS — CID 105178908

IUPAC1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H17ClFNS/c16-15-11(4-1-8-14(15)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12H,2,5-6,10,18H2
InChIKeyKZIXANZIKRKFKK-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.43
Rot. Bonds6

About 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine

1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105178908) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105178908
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H17ClFNS/c16-15-11(4-1-8-14(15)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12H,2,5-6,10,18H2
InChIKeyKZIXANZIKRKFKK-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356
1-(2-chloro-3-fluorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 105178932
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
1-(2-chloro-3-fluorophenyl)octan-2-amine
CID 105032513
1-(2-chloro-3-fluorophenyl)nonan-2-amine
CID 105032502
1-(2-chloro-3-fluorophenyl)-4-phenylbutan-2-amine
CID 112653635
1-(3-chloro-2-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 102867600
1-(1,3-thiazol-2-yl)-5-thiophen-2-ylpentan-2-amine
CID 105169170
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine (CID 105178908) is 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine is NC(CCCc1cccs1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is KZIXANZIKRKFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c16-15-11(4-1-8-14(15)17)10-12(18)5-2-6-13-7-3-9-19-13/h1,3-4,7-9,12H,2,5-6,10,18H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105178908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).