(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine

C12H14FNS — CID 102972343

IUPAC(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine
SMILESCCCc1c(CN)sc2cc(F)ccc12
InChIInChI=1S/C12H14FNS/c1-2-3-9-10-5-4-8(13)6-11(10)15-12(9)7-14/h4-6H,2-3,7,14H2,1H3
InChIKeyULOOYQBUOMRTOT-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.45
Rot. Bonds3

About (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine

(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine (PubChem CID 102972343) has the molecular formula C12H14FNS and a molecular weight of 223.32 g/mol. Its IUPAC name is (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine
PubChem CID102972343
Molecular FormulaC12H14FNS
Molecular Weight223.32 g/mol
Exact Mass223.08
IUPAC Name(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine
SMILESCCCc1c(CN)sc2cc(F)ccc12
InChIInChI=1S/C12H14FNS/c1-2-3-9-10-5-4-8(13)6-11(10)15-12(9)7-14/h4-6H,2-3,7,14H2,1H3
InChIKeyULOOYQBUOMRTOT-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5,6-difluoro-3-propyl-1-benzothiophen-2-yl)methanamine
CID 114378284
(5-tert-butyl-3-propyl-1-benzothiophen-2-yl)methanamine
CID 114377842
2,3-dibutyl-1-benzothiophene-6-carbaldehyde
CID 134965901
(3,6-dichloro-1-benzothiophen-2-yl)methanamine
CID 82363899
2-ethoxy-3,6-difluoro-1-benzothiophene
CID 130870288
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
CID 83909343
1-(2,4-dihydroxy-5-methylphenyl)-3-[3-propyl-6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-1-one
CID 66884222
N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972330
6-fluoro-2-methyl-3-methylsulfanyl-1-benzothiophene
CID 130854586
4-fluoro-2-propylaniline
CID 23348947
2-amino-2-(6-fluoro-2-methyl-1-benzothiophen-3-yl)acetic acid
CID 115073043
[4-fluoro-3-(propoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62452061

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine (CID 102972343) is (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine is CCCc1c(CN)sc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine?
The InChIKey is ULOOYQBUOMRTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNS/c1-2-3-9-10-5-4-8(13)6-11(10)15-12(9)7-14/h4-6H,2-3,7,14H2,1H3.
What are the key properties of (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine?
(6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-propyl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 102972343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).