1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine

C15H17ClFNS — CID 105133282

IUPAC1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNS/c16-15-10-12(17)7-6-11(15)9-13(18)3-1-4-14-5-2-8-19-14/h2,5-8,10,13H,1,3-4,9,18H2
InChIKeyNIFQGZSNGLAUHW-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.43
Rot. Bonds6

About 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine

1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine (PubChem CID 105133282) has the molecular formula C15H17ClFNS and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
PubChem CID105133282
Molecular FormulaC15H17ClFNS
Molecular Weight297.83 g/mol
Exact Mass297.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
SMILESNC(CCCc1cccs1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNS/c16-15-10-12(17)7-6-11(15)9-13(18)3-1-4-14-5-2-8-19-14/h2,5-8,10,13H,1,3-4,9,18H2
InChIKeyNIFQGZSNGLAUHW-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-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 105086949
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356
1-(2-chloro-4-fluorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63776191
1-(2-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 63776013
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
[1-(2-bromo-4-fluorophenyl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105296704
[1-(4-bromo-2-chlorophenyl)-5-thiophen-2-ylpentan-2-yl]hydrazine
CID 105335240
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
1-(2-chloro-5-fluorophenyl)-5-phenylpentan-2-amine
CID 102622741
1-(2-chloro-4-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 105133510

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine (CID 105133282) is 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine is NC(CCCc1cccs1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
The InChIKey is NIFQGZSNGLAUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNS/c16-15-10-12(17)7-6-11(15)9-13(18)3-1-4-14-5-2-8-19-14/h2,5-8,10,13H,1,3-4,9,18H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine?
1-(2-chloro-4-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-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine is sourced from PubChem (CID 105133282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).