[4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride

C11H11Cl2NS — CID 57365259

IUPAC[4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc(Cl)s2)cc1
InChIInChI=1S/C11H10ClNS.ClH/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9;/h1-6H,7,13H2;1H
InChIKeyDSUHDDOAKZTHFV-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.95
Rot. Bonds2

About [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride

[4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride (PubChem CID 57365259) has the molecular formula C11H11Cl2NS and a molecular weight of 260.19 g/mol. Its IUPAC name is [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride
PubChem CID57365259
Molecular FormulaC11H11Cl2NS
Molecular Weight260.19 g/mol
Exact Mass259.00
IUPAC Name[4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc(Cl)s2)cc1
InChIInChI=1S/C11H10ClNS.ClH/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9;/h1-6H,7,13H2;1H
InChIKeyDSUHDDOAKZTHFV-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride (CID 57365259) is [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2ccc(Cl)s2)cc1.
What is the InChIKey of [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride?
The InChIKey is DSUHDDOAKZTHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS.ClH/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9;/h1-6H,7,13H2;1H.
What are the key properties of [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride?
[4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride has a molecular weight of 260.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chlorothiophen-2-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 57365259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).