4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine

C13H17NS — CID 81147000

IUPAC4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc2ccsc12
InChIInChI=1S/C13H17NS/c1-10(14-2)6-7-11-4-3-5-12-8-9-15-13(11)12/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyUXEFCEVWDJWPEF-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.44
Rot. Bonds4

About 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine

4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine (PubChem CID 81147000) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
PubChem CID81147000
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine
SMILESCNC(C)CCc1cccc2ccsc12
InChIInChI=1S/C13H17NS/c1-10(14-2)6-7-11-4-3-5-12-8-9-15-13(11)12/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyUXEFCEVWDJWPEF-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-N-methylpentan-3-amine
CID 81148451
1-(1-benzothiophen-7-yl)-N-methylhexan-3-amine
CID 81147767
7-(3-chloropentyl)-1-benzothiophene
CID 81147007
1-(1-benzothiophen-7-yl)pentan-3-ol
CID 81147774
7-(bromomethyl)-1-benzothiophene
CID 10751761
7-(3-chloropropyl)-1-benzothiophene
CID 81146584
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767
(2S)-4-(2-fluorophenyl)-N-methylbutan-2-amine
CID 93424532
N-(1-benzothiophen-7-ylmethyl)-1-phenylmethanamine
CID 131228188
4-[2-[2-(1-benzothiophen-7-yl)ethoxy]ethyl-methylamino]butan-2-ol
CID 71187935
ethane;7-methyl-1-benzothiophene
CID 143012583
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine (CID 81147000) is 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine is CNC(C)CCc1cccc2ccsc12.
What is the InChIKey of 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine?
The InChIKey is UXEFCEVWDJWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-10(14-2)6-7-11-4-3-5-12-8-9-15-13(11)12/h3-5,8-10,14H,6-7H2,1-2H3.
What are the key properties of 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine?
4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-7-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 81147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).