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

C15H11Cl2NO — CID 114321372

IUPAC(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C15H11Cl2NO/c16-10-6-4-9(5-7-10)15(18)14-8-11-12(17)2-1-3-13(11)19-14/h1-8,15H,18H2
InChIKeyKNMZSMZAQOBGSP-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.79
Rot. Bonds2

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

(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine (PubChem CID 114321372) has the molecular formula C15H11Cl2NO and a molecular weight of 292.17 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
PubChem CID114321372
Molecular FormulaC15H11Cl2NO
Molecular Weight292.17 g/mol
Exact Mass291.02
IUPAC Name(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C15H11Cl2NO/c16-10-6-4-9(5-7-10)15(18)14-8-11-12(17)2-1-3-13(11)19-14/h1-8,15H,18H2
InChIKeyKNMZSMZAQOBGSP-UHFFFAOYSA-N
XLogP4.79
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 114321381
(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine
CID 114321349
4-[amino-(4-chloro-1-benzofuran-2-yl)methyl]benzonitrile
CID 114321373
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
(4-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113277074
(4-chloro-1-benzofuran-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 114321348
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 106758771
(5-bromo-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 43149597
(4-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727555
2-(4-chloro-1-benzofuran-2-yl)propan-1-amine
CID 117119913
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(4-chloro-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 114321377

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine (CID 114321372) is (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1cc2c(Cl)cccc2o1.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
The InChIKey is KNMZSMZAQOBGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO/c16-10-6-4-9(5-7-10)15(18)14-8-11-12(17)2-1-3-13(11)19-14/h1-8,15H,18H2.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine?
(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine has a molecular weight of 292.17 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 114321372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).