1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine

C13H17NS — CID 117313447

IUPAC1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
SMILESCc1sc2cc(CC(C)N)ccc2c1C
InChIInChI=1S/C13H17NS/c1-8(14)6-11-4-5-12-9(2)10(3)15-13(12)7-11/h4-5,7-8H,6,14H2,1-3H3
InChIKeyHVOHHOKVYVIXJO-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.41
Rot. Bonds2

About 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine

1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine (PubChem CID 117313447) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
PubChem CID117313447
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
SMILESCc1sc2cc(CC(C)N)ccc2c1C
InChIInChI=1S/C13H17NS/c1-8(14)6-11-4-5-12-9(2)10(3)15-13(12)7-11/h4-5,7-8H,6,14H2,1-3H3
InChIKeyHVOHHOKVYVIXJO-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
CID 170864486
2-(2,3-dimethyl-1-benzothiophen-6-yl)acetic acid
CID 600423
1-(2,3-dimethyl-1H-indol-5-yl)propan-2-amine
CID 115006304
1-(1,2,3-trimethylindol-5-yl)propan-2-amine
CID 115006318
1-(1,2,3-trimethylindol-6-yl)propan-2-amine
CID 117308494
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
6-(2-aminopropyl)-1,3-benzoxathiol-2-one
CID 117298736
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol
CID 21121270
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine?
The IUPAC name of 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine (CID 117313447) is 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine.
What is the SMILES notation for 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine?
The canonical SMILES for 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine is Cc1sc2cc(CC(C)N)ccc2c1C.
What is the InChIKey of 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine?
The InChIKey is HVOHHOKVYVIXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-8(14)6-11-4-5-12-9(2)10(3)15-13(12)7-11/h4-5,7-8H,6,14H2,1-3H3.
What are the key properties of 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine?
1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine has a molecular weight of 219.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine is sourced from PubChem (CID 117313447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).