1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine

C15H16ClFN2O — CID 107363730

IUPAC1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(Nc2cc(F)cc(Cl)c2)c1N
InChIInChI=1S/C15H16ClFN2O/c1-9(2)20-14-5-3-4-13(15(14)18)19-12-7-10(16)6-11(17)8-12/h3-9,19H,18H2,1-2H3
InChIKeyLUAVOONTTPVAMM-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.59
Rot. Bonds4

About 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine

1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine (PubChem CID 107363730) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
PubChem CID107363730
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(Nc2cc(F)cc(Cl)c2)c1N
InChIInChI=1S/C15H16ClFN2O/c1-9(2)20-14-5-3-4-13(15(14)18)19-12-7-10(16)6-11(17)8-12/h3-9,19H,18H2,1-2H3
InChIKeyLUAVOONTTPVAMM-UHFFFAOYSA-N
XLogP4.59
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 107363630
1-N-(2-bromo-6-chloro-4-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107609187
1-N-(2-bromo-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107634528
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
3-N-(2-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027093
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932
1-N-(4-fluoro-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
CID 114837261
3-N-(3,5-dichlorophenyl)-5-N-(2-propan-2-yloxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967800
4-bromo-2-N-(3-chloro-5-fluorophenyl)benzene-1,2-diamine
CID 107363718
3-chloro-5-fluoro-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]aniline
CID 107364141
3-chloro-5-fluoro-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 107363886
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine (CID 107363730) is 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cccc(Nc2cc(F)cc(Cl)c2)c1N.
What is the InChIKey of 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is LUAVOONTTPVAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-9(2)20-14-5-3-4-13(15(14)18)19-12-7-10(16)6-11(17)8-12/h3-9,19H,18H2,1-2H3.
What are the key properties of 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine?
1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 294.76 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 107363730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).