1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine

C12H15NS — CID 117194308

IUPAC1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc2ccccc2s1
InChIInChI=1S/C12H15NS/c1-9(13-2)7-11-8-10-5-3-4-6-12(10)14-11/h3-6,8-9,13H,7H2,1-2H3
InChIKeyDWSHJGNBNZAVRQ-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.05
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine

1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine (PubChem CID 117194308) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
PubChem CID117194308
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1cc2ccccc2s1
InChIInChI=1S/C12H15NS/c1-9(13-2)7-11-8-10-5-3-4-6-12(10)14-11/h3-6,8-9,13H,7H2,1-2H3
InChIKeyDWSHJGNBNZAVRQ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-2-yl)propan-2-ylhydrazine
CID 119083055
1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117196819
3-(1-benzothiophen-2-yl)-2-methylpropanoic acid
CID 117119996
2-(fluoromethyl)-1-benzothiophene
CID 119085404
N-[(2S)-1-(1-benzothiophen-2-yl)-3-oxopropan-2-yl]acetamide
CID 22858851
2-[(5-methylthiophen-2-yl)methyl]-1-benzothiophene
CID 23543361
1-benzothiophen-2-ylmethanamine;hydroiodide
CID 175928794
2-butyl-1-benzothiophene
CID 70061043
(2R)-2-azaniumyl-3-(1-benzothiophen-2-yl)propanoate
CID 29413738
(3S)-3-amino-4-(1-benzothiophen-2-yl)butanoic acid
CID 24820282
1-benzothiophen-2-ylmethyl N-methylcarbamate
CID 23548760
1-(1-benzothiophen-2-yl)-N,2-dimethylpentan-1-amine
CID 114013577

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine (CID 117194308) is 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine is CNC(C)Cc1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine?
The InChIKey is DWSHJGNBNZAVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-9(13-2)7-11-8-10-5-3-4-6-12(10)14-11/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine?
1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine has a molecular weight of 205.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 117194308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).