1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

C15H15ClF2N2O — CID 63593134

IUPAC1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(Nc2ccc(Cl)cc2F)c(N)cc1F
InChIInChI=1S/C15H15ClF2N2O/c1-8(2)21-15-7-14(12(19)6-11(15)18)20-13-4-3-9(16)5-10(13)17/h3-8,20H,19H2,1-2H3
InChIKeyOCNMHYPATMSSKK-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.73
Rot. Bonds4

About 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63593134) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63593134
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(Nc2ccc(Cl)cc2F)c(N)cc1F
InChIInChI=1S/C15H15ClF2N2O/c1-8(2)21-15-7-14(12(19)6-11(15)18)20-13-4-3-9(16)5-10(13)17/h3-8,20H,19H2,1-2H3
InChIKeyOCNMHYPATMSSKK-UHFFFAOYSA-N
XLogP4.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-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-4-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593995
1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 107363630
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
1-N-(3-bromophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592219
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-N-[2-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
2-N-(3-chloro-2-methylphenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63593804
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
4-fluoro-5-propan-2-yloxy-1-N-(1-pyridin-4-ylethyl)benzene-1,2-diamine
CID 63592232

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (CID 63593134) is 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cc(Nc2ccc(Cl)cc2F)c(N)cc1F.
What is the InChIKey of 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is OCNMHYPATMSSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-8(2)21-15-7-14(12(19)6-11(15)18)20-13-4-3-9(16)5-10(13)17/h3-8,20H,19H2,1-2H3.
What are the key properties of 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 312.75 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63593134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).