(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride

C10H12ClNS — CID 154814321

IUPAC(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride
SMILESCc1csc2ccc(CN)cc12.Cl
InChIInChI=1S/C10H11NS.ClH/c1-7-6-12-10-3-2-8(5-11)4-9(7)10;/h2-4,6H,5,11H2,1H3;1H
InChIKeyUNIVBEMKFQNWAI-UHFFFAOYSA-N
MW213.73 g/mol
LogP3.09
Rot. Bonds1

About (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride

(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride (PubChem CID 154814321) has the molecular formula C10H12ClNS and a molecular weight of 213.73 g/mol. Its IUPAC name is (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride
PubChem CID154814321
Molecular FormulaC10H12ClNS
Molecular Weight213.73 g/mol
Exact Mass213.04
IUPAC Name(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride
SMILESCc1csc2ccc(CN)cc12.Cl
InChIInChI=1S/C10H11NS.ClH/c1-7-6-12-10-3-2-8(5-11)4-9(7)10;/h2-4,6H,5,11H2,1H3;1H
InChIKeyUNIVBEMKFQNWAI-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.73
LogP ≤ 53.09
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-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride (CID 154814321) is (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride is Cc1csc2ccc(CN)cc12.Cl.
What is the InChIKey of (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride?
The InChIKey is UNIVBEMKFQNWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS.ClH/c1-7-6-12-10-3-2-8(5-11)4-9(7)10;/h2-4,6H,5,11H2,1H3;1H.
What are the key properties of (3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride?
(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride has a molecular weight of 213.73 g/mol, XLogP of 3.09, 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-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 154814321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).