2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine

C15H18FNS — CID 63774451

IUPAC2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
SMILESNCC(CCc1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNS/c16-14-4-1-3-12(10-14)9-13(11-17)6-7-15-5-2-8-18-15/h1-5,8,10,13H,6-7,9,11,17H2
InChIKeyYGTAYIIMUBXAKW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine

2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine (PubChem CID 63774451) has the molecular formula C15H18FNS and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
PubChem CID63774451
Molecular FormulaC15H18FNS
Molecular Weight263.38 g/mol
Exact Mass263.11
IUPAC Name2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
SMILESNCC(CCc1cccs1)Cc1cccc(F)c1
InChIInChI=1S/C15H18FNS/c16-14-4-1-3-12(10-14)9-13(11-17)6-7-15-5-2-8-18-15/h1-5,8,10,13H,6-7,9,11,17H2
InChIKeyYGTAYIIMUBXAKW-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
2-[(3-fluorophenyl)methyl]octan-1-amine
CID 62529193
2-[(3-fluorophenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112643958
2-[(2-chlorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine
CID 63774826
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-[4-bromo-3-(3-fluorophenyl)butyl]thiophene
CID 79432221

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine (CID 63774451) is 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine is NCC(CCc1cccs1)Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
The InChIKey is YGTAYIIMUBXAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNS/c16-14-4-1-3-12(10-14)9-13(11-17)6-7-15-5-2-8-18-15/h1-5,8,10,13H,6-7,9,11,17H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine?
2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 63774451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).