1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine

C15H15BrClFN2O — CID 107609187

IUPAC1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(Nc2c(Cl)cc(F)cc2Br)c1N
InChIInChI=1S/C15H15BrClFN2O/c1-8(2)21-13-5-3-4-12(14(13)19)20-15-10(16)6-9(18)7-11(15)17/h3-8,20H,19H2,1-2H3
InChIKeyONOUZKXENGBPFG-UHFFFAOYSA-N
MW373.65 g/mol
LogP5.35
Rot. Bonds4

About 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine

1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine (PubChem CID 107609187) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
PubChem CID107609187
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC Name1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(Nc2c(Cl)cc(F)cc2Br)c1N
InChIInChI=1S/C15H15BrClFN2O/c1-8(2)21-13-5-3-4-12(14(13)19)20-15-10(16)6-9(18)7-11(15)17/h3-8,20H,19H2,1-2H3
InChIKeyONOUZKXENGBPFG-UHFFFAOYSA-N
XLogP5.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine 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

1-N-(2-bromo-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107634528
1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107363730
2-N-(2-bromo-6-chloro-4-fluorophenyl)-3-chlorobenzene-1,2-diamine
CID 107609082
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593995
1-[2-amino-5-(2-bromo-6-chloro-4-fluoroanilino)phenyl]ethanone
CID 107609156
2-N-(2,6-dichloro-4-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 83077911
1-N-(2,6-dichloro-4-fluorophenyl)-2-fluorobenzene-1,4-diamine
CID 83077117
4-N-(2-bromo-6-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107617760
N-(2-bromo-6-chloro-4-fluorophenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 107614970
2-bromo-6-chloro-N-(1,1-difluoropropan-2-yl)-4-fluoroaniline
CID 107610495
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
1-N-(2-bromo-6-fluorophenyl)-3-propoxybenzene-1,2-diamine
CID 107596697

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine (CID 107609187) is 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cccc(Nc2c(Cl)cc(F)cc2Br)c1N.
What is the InChIKey of 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is ONOUZKXENGBPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-8(2)21-13-5-3-4-12(14(13)19)20-15-10(16)6-9(18)7-11(15)17/h3-8,20H,19H2,1-2H3.
What are the key properties of 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 373.65 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 107609187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).