N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine

C13H17NS — CID 117205172

IUPACN-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine
SMILESCNC(C)Cc1cccc2cc(C)sc12
InChIInChI=1S/C13H17NS/c1-9(14-3)7-11-5-4-6-12-8-10(2)15-13(11)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyIVWHDFRUICNMGM-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.36
Rot. Bonds3

About N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine

N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine (PubChem CID 117205172) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine
PubChem CID117205172
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC NameN-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine
SMILESCNC(C)Cc1cccc2cc(C)sc12
InChIInChI=1S/C13H17NS/c1-9(14-3)7-11-5-4-6-12-8-10(2)15-13(11)12/h4-6,8-9,14H,7H2,1-3H3
InChIKeyIVWHDFRUICNMGM-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
7-(2,2-dimethylpropyl)-2-methyl-1-benzothiophene
CID 170780824
2-(2-methyl-1-benzothiophen-7-yl)ethanol
CID 12623874
1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117196819
2-methyl-6-[2-(methylamino)propyl]phenol
CID 14265623
1-(1-benzofuran-7-yl)-N-methylpropan-2-amine;hydrochloride
CID 132988801
7-iodo-2-methyl-1-benzothiophene
CID 91103252
N-methyl-1-(1-propan-2-ylindol-7-yl)propan-2-amine
CID 115106542
1-(1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117194308
N-methyl-1-(1-methylindazol-7-yl)propan-2-amine
CID 84721641
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine (CID 117205172) is N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine is CNC(C)Cc1cccc2cc(C)sc12.
What is the InChIKey of N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine?
The InChIKey is IVWHDFRUICNMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9(14-3)7-11-5-4-6-12-8-10(2)15-13(11)12/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine?
N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1-benzothiophen-7-yl)propan-2-amine is sourced from PubChem (CID 117205172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).