N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine

C16H20FNS — CID 102972365

IUPACN-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1sc2cc(F)ccc2c1C1CC1
InChIInChI=1S/C16H20FNS/c1-10(2)8-18-9-15-16(11-3-4-11)13-6-5-12(17)7-14(13)19-15/h5-7,10-11,18H,3-4,8-9H2,1-2H3
InChIKeyYRUSNRSRFSTDEY-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.66
Rot. Bonds5

About N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine

N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 102972365) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID102972365
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC NameN-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1sc2cc(F)ccc2c1C1CC1
InChIInChI=1S/C16H20FNS/c1-10(2)8-18-9-15-16(11-3-4-11)13-6-5-12(17)7-14(13)19-15/h5-7,10-11,18H,3-4,8-9H2,1-2H3
InChIKeyYRUSNRSRFSTDEY-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyl-5,7-difluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378264
N-[(5-fluoro-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378033
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375390
methyl 3-cyclopropyl-6-fluoro-1-benzothiophene-2-carboxylate
CID 59625710
N-[(6-fluoro-3-methyl-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 102972330
N-[(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378165
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
N-[(5-chloro-3-ethyl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 113459877
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
N-[(2,4-dicyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436887
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine (CID 102972365) is N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1sc2cc(F)ccc2c1C1CC1.
What is the InChIKey of N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is YRUSNRSRFSTDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-10(2)8-18-9-15-16(11-3-4-11)13-6-5-12(17)7-14(13)19-15/h5-7,10-11,18H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine?
N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 102972365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).