3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine

C13H17NS — CID 63739036

IUPAC3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1csc2ccccc12
InChIInChI=1S/C13H17NS/c1-10(8-14-2)7-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyMUQLYXANZZWCQI-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.30
Rot. Bonds4

About 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine

3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine (PubChem CID 63739036) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
PubChem CID63739036
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)Cc1csc2ccccc12
InChIInChI=1S/C13H17NS/c1-10(8-14-2)7-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3
InChIKeyMUQLYXANZZWCQI-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-3-phenylpropyl)-1-benzothiophene
CID 4715035
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
4-(1-benzothiophen-3-yl)-N-methyl-2-phenylbutan-1-amine
CID 81028431
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
3-[2-(1-bromoethyl)-3-methylbutyl]-1-benzothiophene
CID 55231292
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine (CID 63739036) is 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine is CNCC(C)Cc1csc2ccccc12.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine?
The InChIKey is MUQLYXANZZWCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-10(8-14-2)7-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,14H,7-8H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine?
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 63739036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).