N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine

C14H18FNS — CID 81047617

IUPACN-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1csc2c(F)cccc12
InChIInChI=1S/C14H18FNS/c1-14(2,3)16-8-7-10-9-17-13-11(10)5-4-6-12(13)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyFPHRTYXHLZAOMO-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.97
Rot. Bonds3

About N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine

N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine (PubChem CID 81047617) has the molecular formula C14H18FNS and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
PubChem CID81047617
Molecular FormulaC14H18FNS
Molecular Weight251.37 g/mol
Exact Mass251.11
IUPAC NameN-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCc1csc2c(F)cccc12
InChIInChI=1S/C14H18FNS/c1-14(2,3)16-8-7-10-9-17-13-11(10)5-4-6-12(13)15/h4-6,9,16H,7-8H2,1-3H3
InChIKeyFPHRTYXHLZAOMO-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(7-bromo-1-benzothiophen-3-yl)-N-tert-butylpentan-1-amine
CID 81148210
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009
1-(7-fluoro-1-benzothiophen-3-yl)-N,N-dimethylmethanamine
CID 117181462
(7-fluoro-1-benzothiophen-3-yl)methanamine;hydrochloride
CID 155973410
3-(ethoxymethyl)-7-fluoro-1-benzothiophene
CID 117181592
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
CID 81049656
N-[2-(7-methoxy-1-benzothiophen-3-yl)ethyl]-2-methylpropan-1-amine
CID 81048737
3-[2-(1-benzothiophen-3-yl)ethylamino]-3-methylbutan-1-ol
CID 115134284
N'-tert-butyl-N-[(2,6-difluorophenyl)methyl]ethane-1,2-diamine
CID 113405352
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
3-[(4-chlorophenoxy)methyl]-7-fluoro-1-benzothiophene
CID 117181558
2-[(7-fluoro-1-benzothiophen-3-yl)methoxy]phenol
CID 117181525

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine (CID 81047617) is N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCc1csc2c(F)cccc12.
What is the InChIKey of N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
The InChIKey is FPHRTYXHLZAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNS/c1-14(2,3)16-8-7-10-9-17-13-11(10)5-4-6-12(13)15/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine?
N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81047617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).