[4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine

C15H19FN2S — CID 62428564

IUPAC[4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCC1CCN(Cc2c(CN)sc3cccc(F)c23)C1
InChIInChI=1S/C15H19FN2S/c1-10-5-6-18(8-10)9-11-14(7-17)19-13-4-2-3-12(16)15(11)13/h2-4,10H,5-9,17H2,1H3
InChIKeyUHGFOOVMCCCMHG-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.34
Rot. Bonds3

About [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine

[4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (PubChem CID 62428564) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
PubChem CID62428564
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC Name[4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCC1CCN(Cc2c(CN)sc3cccc(F)c23)C1
InChIInChI=1S/C15H19FN2S/c1-10-5-6-18(8-10)9-11-14(7-17)19-13-4-2-3-12(16)15(11)13/h2-4,10H,5-9,17H2,1H3
InChIKeyUHGFOOVMCCCMHG-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-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

[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 79183571
[3-[(3-ethylmorpholin-4-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62432050
[3-[(2-ethylimidazol-1-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62440434
1-[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114413040
[3-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62448704
[4-fluoro-3-(1,2,4-triazol-1-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62448679
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62427654
[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458040
[4-fluoro-3-(propoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62452061
[3-[(3-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 61224005
[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 102986878
1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62434463

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (CID 62428564) is [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is CC1CCN(Cc2c(CN)sc3cccc(F)c23)C1.
What is the InChIKey of [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The InChIKey is UHGFOOVMCCCMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-10-5-6-18(8-10)9-11-14(7-17)19-13-4-2-3-12(16)15(11)13/h2-4,10H,5-9,17H2,1H3.
What are the key properties of [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
[4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine has a molecular weight of 278.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62428564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).