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

C13H14FNS — CID 102972330

IUPACN-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)sc2cc(F)ccc12
InChIInChI=1S/C13H14FNS/c1-8-11-5-2-9(14)6-12(11)16-13(8)7-15-10-3-4-10/h2,5-6,10,15H,3-4,7H2,1H3
InChIKeyBXKLGBURJTWMSR-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.60
Rot. Bonds3

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

N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (PubChem CID 102972330) has the molecular formula C13H14FNS and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
PubChem CID102972330
Molecular FormulaC13H14FNS
Molecular Weight235.33 g/mol
Exact Mass235.08
IUPAC NameN-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
SMILESCc1c(CNC2CC2)sc2cc(F)ccc12
InChIInChI=1S/C13H14FNS/c1-8-11-5-2-9(14)6-12(11)16-13(8)7-15-10-3-4-10/h2,5-6,10,15H,3-4,7H2,1H3
InChIKeyBXKLGBURJTWMSR-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-methoxy-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972146
N-[(3,5,6-trimethyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 81048147
N-[(9-methyl-3,4-dihydro-2H-thieno[2,3-h][1,5]benzodioxepin-8-yl)methyl]cyclopropanamine
CID 115480588
N-[(6-methoxy-3-propyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972150
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
N-[[4-methyl-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 107920955
5-[(cyclopropylamino)methyl]-4-ethyl-N-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766848
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[(5-fluoro-2-propan-2-ylsulfanylphenyl)methyl]cyclopropanamine
CID 63807534
N-[[4-[(2,4-difluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80720128
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403915
N-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]cyclopropanamine
CID 79148219

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine (CID 102972330) is N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is Cc1c(CNC2CC2)sc2cc(F)ccc12.
What is the InChIKey of N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is BXKLGBURJTWMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNS/c1-8-11-5-2-9(14)6-12(11)16-13(8)7-15-10-3-4-10/h2,5-6,10,15H,3-4,7H2,1H3.
What are the key properties of N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine?
N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 235.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 102972330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).