1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride

C6H9Cl2NS — CID 139033666

IUPAC1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)cs1.Cl
InChIInChI=1S/C6H8ClNS.ClH/c1-8-3-6-2-5(7)4-9-6;/h2,4,8H,3H2,1H3;1H
InChIKeyHBIRRIYHOJNWDI-UHFFFAOYSA-N
MW198.12 g/mol
LogP2.54
Rot. Bonds2

About 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride

1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride (PubChem CID 139033666) has the molecular formula C6H9Cl2NS and a molecular weight of 198.12 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride
PubChem CID139033666
Molecular FormulaC6H9Cl2NS
Molecular Weight198.12 g/mol
Exact Mass196.98
IUPAC Name1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride
SMILESCNCc1cc(Cl)cs1.Cl
InChIInChI=1S/C6H8ClNS.ClH/c1-8-3-6-2-5(7)4-9-6;/h2,4,8H,3H2,1H3;1H
InChIKeyHBIRRIYHOJNWDI-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride (CID 139033666) is 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride is CNCc1cc(Cl)cs1.Cl.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is HBIRRIYHOJNWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS.ClH/c1-8-3-6-2-5(7)4-9-6;/h2,4,8H,3H2,1H3;1H.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride?
1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 198.12 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 139033666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).