1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine

C13H17NS — CID 166940972

IUPAC1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ccc2ccsc2c1)NC
InChIInChI=1S/C13H17NS/c1-3-12(14-2)8-10-4-5-11-6-7-15-13(11)9-10/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyGTSBBRHQKIGZDN-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.44
Rot. Bonds4

About 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine

1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine (PubChem CID 166940972) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine
PubChem CID166940972
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine
SMILESCCC(Cc1ccc2ccsc2c1)NC
InChIInChI=1S/C13H17NS/c1-3-12(14-2)8-10-4-5-11-6-7-15-13(11)9-10/h4-7,9,12,14H,3,8H2,1-2H3
InChIKeyGTSBBRHQKIGZDN-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

2-(1-benzothiophen-6-yl)-N-methylpent-1-en-3-amine
CID 166941304
6-(naphthalen-2-ylmethyl)-1-benzothiophene
CID 123722451
(2R)-N-methyl-1-(2-methyl-1-benzofuran-5-yl)butan-2-amine
CID 170234991
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
CID 112513153
1-(3-methoxyphenyl)-N-methylbutan-2-amine
CID 61065553
S-methyl N-(1-benzothiophen-6-ylmethyl)carbamothioate
CID 163420802
1-(1-benzothiophen-6-yl)-3-fluoro-2-(methylamino)propan-1-one
CID 166941307
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
3-(1-benzothiophen-6-yl)-1-bromo-N-methylbut-3-en-2-amine
CID 166941290
2-(1-benzothiophen-6-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58144813
1-(3,4-dimethylphenyl)-4-ethyl-N-methylhexan-2-amine
CID 82923146

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine?
The IUPAC name of 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine (CID 166940972) is 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine is CCC(Cc1ccc2ccsc2c1)NC.
What is the InChIKey of 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine?
The InChIKey is GTSBBRHQKIGZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-3-12(14-2)8-10-4-5-11-6-7-15-13(11)9-10/h4-7,9,12,14H,3,8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine?
1-(1-benzothiophen-6-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 1-(1-benzothiophen-6-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 166940972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).