[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine

C15H10Cl3NO — CID 54031245

IUPAC[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccc(Cl)cc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-8-2-4-13-11(5-8)15(14(7-19)20-13)10-3-1-9(17)6-12(10)18/h1-6H,7,19H2
InChIKeyLFTDEOKODNUQPL-UHFFFAOYSA-N
MW326.61 g/mol
LogP5.52
Rot. Bonds2

About [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine

[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine (PubChem CID 54031245) has the molecular formula C15H10Cl3NO and a molecular weight of 326.61 g/mol. Its IUPAC name is [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine
PubChem CID54031245
Molecular FormulaC15H10Cl3NO
Molecular Weight326.61 g/mol
Exact Mass324.98
IUPAC Name[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine
SMILESNCc1oc2ccc(Cl)cc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3NO/c16-8-2-4-13-11(5-8)15(14(7-19)20-13)10-3-1-9(17)6-12(10)18/h1-6H,7,19H2
InChIKeyLFTDEOKODNUQPL-UHFFFAOYSA-N
XLogP5.52
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chloro-2-(2,4-dichlorophenyl)phenyl]methanamine
CID 66159336
[3-chloro-4-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 104729116
[5-chloro-3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanol
CID 12535905
[3-[(2,5-dichlorophenoxy)methyl]-1-benzofuran-2-yl]methanamine
CID 62450219
3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
CID 10215103
(5-chloro-2,1-benzoxazol-3-yl)methanamine
CID 105440337
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
(3-chloro-1-benzofuran-2-yl)methanamine
CID 83817093
(4,6-dichloro-3-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 114377042
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
(5-chloro-1,2-benzoxazol-3-yl)methanamine;hydrochloride
CID 82020480
2,4-dichloro-6-(2,4-dichlorophenyl)aniline
CID 71372791

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine?
The IUPAC name of [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine (CID 54031245) is [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine.
What is the SMILES notation for [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine?
The canonical SMILES for [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine is NCc1oc2ccc(Cl)cc2c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine?
The InChIKey is LFTDEOKODNUQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO/c16-8-2-4-13-11(5-8)15(14(7-19)20-13)10-3-1-9(17)6-12(10)18/h1-6H,7,19H2.
What are the key properties of [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine?
[5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine has a molecular weight of 326.61 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(2,4-dichlorophenyl)-1-benzofuran-2-yl]methanamine is sourced from PubChem (CID 54031245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).