2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine

C9H13NS — CID 83905599

IUPAC2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
SMILESCc1cc2c(s1)C(N)CCC2
InChIInChI=1S/C9H13NS/c1-6-5-7-3-2-4-8(10)9(7)11-6/h5,8H,2-4,10H2,1H3
InChIKeyPHNKMBJRECSCFJ-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.39
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine

2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine (PubChem CID 83905599) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
PubChem CID83905599
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine
SMILESCc1cc2c(s1)C(N)CCC2
InChIInChI=1S/C9H13NS/c1-6-5-7-3-2-4-8(10)9(7)11-6/h5,8H,2-4,10H2,1H3
InChIKeyPHNKMBJRECSCFJ-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine (CID 83905599) is 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine is Cc1cc2c(s1)C(N)CCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
The InChIKey is PHNKMBJRECSCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-6-5-7-3-2-4-8(10)9(7)11-6/h5,8H,2-4,10H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine?
2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine has a molecular weight of 167.28 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-amine is sourced from PubChem (CID 83905599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).