(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine

C10H12FNS — CID 83908067

IUPAC(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESCC1Sc2c(F)cccc2C1CN
InChIInChI=1S/C10H12FNS/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,6,8H,5,12H2,1H3
InChIKeyWQDZBPZEDJDLNN-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.36
Rot. Bonds1

About (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine

(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine (PubChem CID 83908067) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
PubChem CID83908067
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
SMILESCC1Sc2c(F)cccc2C1CN
InChIInChI=1S/C10H12FNS/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,6,8H,5,12H2,1H3
InChIKeyWQDZBPZEDJDLNN-UHFFFAOYSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine 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

(7-chloro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 83909910
7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 83909743
7-fluoro-N-methyl-2-propyl-2,3-dihydro-1-benzothiophen-3-amine
CID 83049418
[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 165409732
2-(aminomethyl)-5-fluoro-4H-1,4-benzothiazin-3-one
CID 84621659
(2,3-difluorophenyl)methanamine
CID 2736941
(4-fluoro-2,3-dihydro-1-benzothiophen-2-yl)methanamine
CID 43115259
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
[4-(2-fluorophenyl)-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584082
[3-fluoro-2-(1-fluoroethyl)phenyl]methanamine
CID 84654036
(4-fluorospiro[1,2-dihydroindene-3,1'-cyclopropane]-1-yl)methanamine
CID 83753060
4,5-difluoro-9H-fluoren-9-amine
CID 82578575

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The IUPAC name of (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine (CID 83908067) is (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine.
What is the SMILES notation for (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The canonical SMILES for (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine is CC1Sc2c(F)cccc2C1CN.
What is the InChIKey of (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
The InChIKey is WQDZBPZEDJDLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-6-8(5-12)7-3-2-4-9(11)10(7)13-6/h2-4,6,8H,5,12H2,1H3.
What are the key properties of (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine?
(7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine has a molecular weight of 197.28 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methyl-2,3-dihydro-1-benzothiophen-3-yl)methanamine is sourced from PubChem (CID 83908067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).