(4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride

C11H11Cl2NS — CID 42950978

IUPAC(4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H10ClNS.ClH/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10;/h1-7,11H,13H2;1H
InChIKeyVYWROTPKKZWLLA-UHFFFAOYSA-N
MW260.19 g/mol
LogP3.87
Rot. Bonds2

About (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride

(4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride (PubChem CID 42950978) has the molecular formula C11H11Cl2NS and a molecular weight of 260.19 g/mol. Its IUPAC name is (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
PubChem CID42950978
Molecular FormulaC11H11Cl2NS
Molecular Weight260.19 g/mol
Exact Mass259.00
IUPAC Name(4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride
SMILESCl.NC(c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C11H10ClNS.ClH/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10;/h1-7,11H,13H2;1H
InChIKeyVYWROTPKKZWLLA-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The IUPAC name of (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride (CID 42950978) is (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride is Cl.NC(c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
The InChIKey is VYWROTPKKZWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS.ClH/c12-9-5-3-8(4-6-9)11(13)10-2-1-7-14-10;/h1-7,11H,13H2;1H.
What are the key properties of (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride?
(4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride has a molecular weight of 260.19 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-thiophen-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 42950978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).