[5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride

C11H11Cl2NO — CID 21311902

IUPAC[5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClNO.ClH/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;/h1-6H,7,13H2;1H
InChIKeyRZWKQWXXGUQPQW-UHFFFAOYSA-N
MW244.12 g/mol
LogP3.48
Rot. Bonds2

About [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride

[5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride (PubChem CID 21311902) has the molecular formula C11H11Cl2NO and a molecular weight of 244.12 g/mol. Its IUPAC name is [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride
PubChem CID21311902
Molecular FormulaC11H11Cl2NO
Molecular Weight244.12 g/mol
Exact Mass243.02
IUPAC Name[5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C11H10ClNO.ClH/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;/h1-6H,7,13H2;1H
InChIKeyRZWKQWXXGUQPQW-UHFFFAOYSA-N
XLogP3.48
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.12
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride (CID 21311902) is [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride is Cl.NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride?
The InChIKey is RZWKQWXXGUQPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO.ClH/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;/h1-6H,7,13H2;1H.
What are the key properties of [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride?
[5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride has a molecular weight of 244.12 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)furan-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 21311902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).