1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine

C14H16FNS — CID 63776300

IUPAC1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)Cc1ccccc1F
InChIInChI=1S/C14H16FNS/c15-14-6-2-1-4-11(14)10-12(16)7-8-13-5-3-9-17-13/h1-6,9,12H,7-8,10,16H2
InChIKeyATJIYVRAAYDMSK-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine

1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 63776300) has the molecular formula C14H16FNS and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
PubChem CID63776300
Molecular FormulaC14H16FNS
Molecular Weight249.35 g/mol
Exact Mass249.10
IUPAC Name1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)Cc1ccccc1F
InChIInChI=1S/C14H16FNS/c15-14-6-2-1-4-11(14)10-12(16)7-8-13-5-3-9-17-13/h1-6,9,12H,7-8,10,16H2
InChIKeyATJIYVRAAYDMSK-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-ol
CID 62500658
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
1-(2-bromophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105087550
1-(2-chloro-4-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105133282
1-(2-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 62365879
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
2-[4-chloro-3-(2-fluorophenyl)butyl]thiophene
CID 79455066
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine (CID 63776300) is 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine is NC(CCc1cccs1)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is ATJIYVRAAYDMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNS/c15-14-6-2-1-4-11(14)10-12(16)7-8-13-5-3-9-17-13/h1-6,9,12H,7-8,10,16H2.
What are the key properties of 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine?
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 249.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63776300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).