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

C15H12ClNO — CID 114732195

IUPAC[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1-c1cc2ccccc2o1
InChIInChI=1S/C15H12ClNO/c16-12-6-5-11(9-17)13(8-12)15-7-10-3-1-2-4-14(10)18-15/h1-8H,9,17H2
InChIKeyUXIBJUGNJZGASG-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.21
Rot. Bonds2

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

[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine (PubChem CID 114732195) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
PubChem CID114732195
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine
SMILESNCc1ccc(Cl)cc1-c1cc2ccccc2o1
InChIInChI=1S/C15H12ClNO/c16-12-6-5-11(9-17)13(8-12)15-7-10-3-1-2-4-14(10)18-15/h1-8H,9,17H2
InChIKeyUXIBJUGNJZGASG-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
2-[[2-(1-benzofuran-2-yl)-5-chlorophenyl]methyl]-1H-imidazole
CID 90751232
2-[2-(iodomethyl)phenyl]-1-benzofuran
CID 146186545
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2-[4-(1-benzofuran-2-yl)phenyl]ethanamine
CID 110282118
2-(2-bromophenyl)-1-benzofuran
CID 14669096
2-[5-(1-benzofuran-2-yl)-1-methylpyrrol-2-yl]ethanamine
CID 82387904
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran
CID 88836846
2-[[2-(1-benzofuran-2-yl)-4-fluorophenyl]methyl]pyrimidine
CID 54374256
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
CID 114732154

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine?
The IUPAC name of [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine (CID 114732195) is [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine.
What is the SMILES notation for [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine?
The canonical SMILES for [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine is NCc1ccc(Cl)cc1-c1cc2ccccc2o1.
What is the InChIKey of [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine?
The InChIKey is UXIBJUGNJZGASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-12-6-5-11(9-17)13(8-12)15-7-10-3-1-2-4-14(10)18-15/h1-8H,9,17H2.
What are the key properties of [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine?
[2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine has a molecular weight of 257.72 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzofuran-2-yl)-4-chlorophenyl]methanamine is sourced from PubChem (CID 114732195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).