(5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride

C15H13Cl2NO — CID 22763506

IUPAC(5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride
SMILESCl.NCc1oc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H12ClNO.ClH/c16-11-6-7-13-12(8-11)15(14(9-17)18-13)10-4-2-1-3-5-10;/h1-8H,9,17H2;1H
InChIKeyPOJRIKAHEMSCNK-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.63
Rot. Bonds2

About (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride

(5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride (PubChem CID 22763506) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride
PubChem CID22763506
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name(5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride
SMILESCl.NCc1oc2ccc(Cl)cc2c1-c1ccccc1
InChIInChI=1S/C15H12ClNO.ClH/c16-11-6-7-13-12(8-11)15(14(9-17)18-13)10-4-2-1-3-5-10;/h1-8H,9,17H2;1H
InChIKeyPOJRIKAHEMSCNK-UHFFFAOYSA-N
XLogP4.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride (CID 22763506) is (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride is Cl.NCc1oc2ccc(Cl)cc2c1-c1ccccc1.
What is the InChIKey of (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride?
The InChIKey is POJRIKAHEMSCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO.ClH/c16-11-6-7-13-12(8-11)15(14(9-17)18-13)10-4-2-1-3-5-10;/h1-8H,9,17H2;1H.
What are the key properties of (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride?
(5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride has a molecular weight of 294.18 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-phenyl-1-benzofuran-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 22763506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).