[5-(4-chlorophenyl)thiophen-2-yl]methanamine

C11H10ClNS — CID 5224402

IUPAC[5-(4-chlorophenyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClNS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2
InChIKeyIIPNNQZFBHWKAI-UHFFFAOYSA-N
MW223.73 g/mol
LogP3.53
Rot. Bonds2

About [5-(4-chlorophenyl)thiophen-2-yl]methanamine

[5-(4-chlorophenyl)thiophen-2-yl]methanamine (PubChem CID 5224402) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is [5-(4-chlorophenyl)thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-chlorophenyl)thiophen-2-yl]methanamine
PubChem CID5224402
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name[5-(4-chlorophenyl)thiophen-2-yl]methanamine
SMILESNCc1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H10ClNS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2
InChIKeyIIPNNQZFBHWKAI-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)thiophen-2-yl]methanamine?
The IUPAC name of [5-(4-chlorophenyl)thiophen-2-yl]methanamine (CID 5224402) is [5-(4-chlorophenyl)thiophen-2-yl]methanamine.
What is the SMILES notation for [5-(4-chlorophenyl)thiophen-2-yl]methanamine?
The canonical SMILES for [5-(4-chlorophenyl)thiophen-2-yl]methanamine is NCc1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of [5-(4-chlorophenyl)thiophen-2-yl]methanamine?
The InChIKey is IIPNNQZFBHWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2.
What are the key properties of [5-(4-chlorophenyl)thiophen-2-yl]methanamine?
[5-(4-chlorophenyl)thiophen-2-yl]methanamine has a molecular weight of 223.73 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)thiophen-2-yl]methanamine is sourced from PubChem (CID 5224402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).