[4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine

C14H10Cl2FNO2 — CID 12002136

IUPAC[4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
SMILESNCC1Oc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2O1
InChIInChI=1S/C14H10Cl2FNO2/c15-7-1-2-11(16)9(3-7)10-4-8(17)5-12-14(10)20-13(6-18)19-12/h1-5,13H,6,18H2
InChIKeyOXNHERCNOGDBJT-UHFFFAOYSA-N
MW314.14 g/mol
LogP3.86
Rot. Bonds2

About [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine

[4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine (PubChem CID 12002136) has the molecular formula C14H10Cl2FNO2 and a molecular weight of 314.14 g/mol. Its IUPAC name is [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
PubChem CID12002136
Molecular FormulaC14H10Cl2FNO2
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name[4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
SMILESNCC1Oc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2O1
InChIInChI=1S/C14H10Cl2FNO2/c15-7-1-2-11(16)9(3-7)10-4-8(17)5-12-14(10)20-13(6-18)19-12/h1-5,13H,6,18H2
InChIKeyOXNHERCNOGDBJT-UHFFFAOYSA-N
XLogP3.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-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

[7-(2,5-Dichlorophenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11370363
[(3S)-5-(2-chlorophenyl)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002113
[6-Fluoro-4-(2-methoxyphenyl)-1,3-benzodioxol-2-yl]methanamine
CID 12002131
(6-Fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine
CID 12002132
[4-(3-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002133
[4-(4-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002134
[6-Fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine
CID 12002135
[6-Fluoro-4-[2-(trifluoromethyl)phenyl]-1,3-benzodioxol-2-yl]methanamine
CID 12002137
[6-Fluoro-4-(2-fluorophenyl)-1,3-benzodioxol-2-yl]methanamine
CID 12002138
[4-(2-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002153
[(2S)-4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002154
[(2R)-4-(2,6-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002155

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine?
The IUPAC name of [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine (CID 12002136) is [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine.
What is the SMILES notation for [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine?
The canonical SMILES for [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine is NCC1Oc2cc(F)cc(-c3cc(Cl)ccc3Cl)c2O1.
What is the InChIKey of [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine?
The InChIKey is OXNHERCNOGDBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNO2/c15-7-1-2-11(16)9(3-7)10-4-8(17)5-12-14(10)20-13(6-18)19-12/h1-5,13H,6,18H2.
What are the key properties of [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine?
[4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine has a molecular weight of 314.14 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine is sourced from PubChem (CID 12002136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).