1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine

C14H18FNS — CID 114378104

IUPAC1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2c(F)cccc2c1CC(C)C
InChIInChI=1S/C14H18FNS/c1-9(2)7-11-10-5-4-6-12(15)14(10)17-13(11)8-16-3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyYFVJNYLNCVFTQP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.96
Rot. Bonds4

About 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine

1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine (PubChem CID 114378104) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine
PubChem CID114378104
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC Name1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine
SMILESCNCc1sc2c(F)cccc2c1CC(C)C
InChIInChI=1S/C14H18FNS/c1-9(2)7-11-10-5-4-6-12(15)14(10)17-13(11)8-16-3/h4-6,9,16H,7-8H2,1-3H3
InChIKeyYFVJNYLNCVFTQP-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-fluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378107
N-[[7-bromo-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]propan-1-amine
CID 114378235
N-[[7-methoxy-3-(2-methylpropyl)-1-benzothiophen-2-yl]methyl]ethanamine
CID 114378380
N-methyl-1-[5-methyl-3-(2-methylpropyl)-1-benzothiophen-2-yl]methanamine
CID 114377984
1-(3-ethyl-7-methoxy-1-benzothiophen-2-yl)-N-methylmethanamine
CID 104843379
1-[7-methoxy-3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 114378405
1-[2-(2-bromo-6-fluorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114887813
[3-(bromomethyl)-7-fluoro-1-benzothiophen-2-yl]methanol
CID 130839099
(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
CID 112546161
1-[3-(2,2-difluoroethoxymethyl)-4-fluoro-1-benzothiophen-2-yl]-N-methylmethanamine
CID 82006651
1,3-difluoro-2-(2-methylpropyl)benzene;1,2,4,5-tetrafluoro-3-propan-2-yloxybenzene
CID 170570602
N-[(3-cyclopropyl-7-fluoro-1-benzothiophen-2-yl)methyl]propan-1-amine
CID 114378106

Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine (CID 114378104) is 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine is CNCc1sc2c(F)cccc2c1CC(C)C.
What is the InChIKey of 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
The InChIKey is YFVJNYLNCVFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNS/c1-9(2)7-11-10-5-4-6-12(15)14(10)17-13(11)8-16-3/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine?
1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(2-methylpropyl)-1-benzothiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 114378104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).