1-benzofuran-2-yl-(4-chlorophenyl)methanamine

C15H12ClNO — CID 13048639

IUPAC1-benzofuran-2-yl-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15H,17H2
InChIKeyYNCPWOYHBVFAGG-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.13
Rot. Bonds2

About 1-benzofuran-2-yl-(4-chlorophenyl)methanamine

1-benzofuran-2-yl-(4-chlorophenyl)methanamine (PubChem CID 13048639) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-chlorophenyl)methanamine
PubChem CID13048639
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name1-benzofuran-2-yl-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2ccccc2o1
InChIInChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15H,17H2
InChIKeyYNCPWOYHBVFAGG-UHFFFAOYSA-N
XLogP4.13
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanamine
CID 43826525
(4-chlorophenyl)-(5-ethyl-1-benzofuran-2-yl)methanamine
CID 43826510
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970
1-benzofuran-2-yl-(5-chlorofuran-2-yl)methanamine
CID 106693169
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
1-benzofuran-2-yl-(2,3-dichlorophenyl)methanamine
CID 63091124
1-benzofuran-2-yl-(5-chloro-2-ethoxyphenyl)methanamine;hydrochloride
CID 139710624
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-chlorophenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(4-chlorophenyl)methanamine (CID 13048639) is 1-benzofuran-2-yl-(4-chlorophenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(4-chlorophenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-yl-(4-chlorophenyl)methanamine?
The InChIKey is YNCPWOYHBVFAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-7-5-10(6-8-12)15(17)14-9-11-3-1-2-4-13(11)18-14/h1-9,15H,17H2.
What are the key properties of 1-benzofuran-2-yl-(4-chlorophenyl)methanamine?
1-benzofuran-2-yl-(4-chlorophenyl)methanamine has a molecular weight of 257.72 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-chlorophenyl)methanamine is sourced from PubChem (CID 13048639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).