N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine

C12H14FNS — CID 117178167

IUPACN-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2cc(F)ccc12
InChIInChI=1S/C12H14FNS/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyRTTOXBPVBOKRPN-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.54
Rot. Bonds3

About N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine

N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine (PubChem CID 117178167) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
PubChem CID117178167
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC NameN-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1csc2cc(F)ccc12
InChIInChI=1S/C12H14FNS/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14H,6H2,1-2H3
InChIKeyRTTOXBPVBOKRPN-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-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

N-[(6-bromo-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117178182
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
(6-fluoro-1-benzothiophen-3-yl)methanol
CID 71649882
O-[(6-fluoro-1-benzothiophen-3-yl)methyl]hydroxylamine
CID 117196258
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
N-[[5-fluoro-2-(3-methylthiophen-2-yl)phenyl]methyl]propan-2-amine
CID 114078502
3-bromo-6-fluoro-1-benzothiophene
CID 58817610
N-[(4-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
CID 117184526
N-(1-benzothiophen-3-ylmethyl)-1-chloropropan-2-amine
CID 65025851
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
N-(1-benzothiophen-3-ylmethyl)pentan-2-amine
CID 60704533
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62388931

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine (CID 117178167) is N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine is CC(C)NCc1csc2cc(F)ccc12.
What is the InChIKey of N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine?
The InChIKey is RTTOXBPVBOKRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-8(2)14-6-9-7-15-12-5-10(13)3-4-11(9)12/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine?
N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-benzothiophen-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 117178167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).