(3-methyl-1-benzothiophen-2-yl)methanamine

C10H11NS — CID 67504872

IUPAC(3-methyl-1-benzothiophen-2-yl)methanamine
SMILESCc1c(CN)sc2ccccc12
InChIInChI=1S/C10H11NS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5H,6,11H2,1H3
InChIKeyNAAULBFSKFRTTH-UHFFFAOYSA-N
MW177.27 g/mol
LogP2.67
Rot. Bonds1

About (3-methyl-1-benzothiophen-2-yl)methanamine

(3-methyl-1-benzothiophen-2-yl)methanamine (PubChem CID 67504872) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is (3-methyl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-1-benzothiophen-2-yl)methanamine
PubChem CID67504872
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name(3-methyl-1-benzothiophen-2-yl)methanamine
SMILESCc1c(CN)sc2ccccc12
InChIInChI=1S/C10H11NS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5H,6,11H2,1H3
InChIKeyNAAULBFSKFRTTH-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (3-methyl-1-benzothiophen-2-yl)methanamine (CID 67504872) is (3-methyl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (3-methyl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (3-methyl-1-benzothiophen-2-yl)methanamine is Cc1c(CN)sc2ccccc12.
What is the InChIKey of (3-methyl-1-benzothiophen-2-yl)methanamine?
The InChIKey is NAAULBFSKFRTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS/c1-7-8-4-2-3-5-9(8)12-10(7)6-11/h2-5H,6,11H2,1H3.
What are the key properties of (3-methyl-1-benzothiophen-2-yl)methanamine?
(3-methyl-1-benzothiophen-2-yl)methanamine has a molecular weight of 177.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 67504872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).