3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine

C15H17FN2O — CID 60789932

IUPAC3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
SMILESCC(C)Oc1ccc(Nc2cccc(F)c2N)cc1
InChIInChI=1S/C15H17FN2O/c1-10(2)19-12-8-6-11(7-9-12)18-14-5-3-4-13(16)15(14)17/h3-10,18H,17H2,1-2H3
InChIKeyHGVJFHUKNGPMSG-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.94
Rot. Bonds4

About 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine

3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine (PubChem CID 60789932) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
PubChem CID60789932
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
SMILESCC(C)Oc1ccc(Nc2cccc(F)c2N)cc1
InChIInChI=1S/C15H17FN2O/c1-10(2)19-12-8-6-11(7-9-12)18-14-5-3-4-13(16)15(14)17/h3-10,18H,17H2,1-2H3
InChIKeyHGVJFHUKNGPMSG-UHFFFAOYSA-N
XLogP3.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.94
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

4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067640
4-fluoro-2-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 55067775
1-N-(3,4-dimethoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 60783176
N-(4-chlorophenyl)-4-propan-2-yloxyaniline
CID 82535862
5-fluoro-2-N-(4-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 83736723
1-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzene-1,2-diamine
CID 82858496
3-fluoro-1-N-(4-methoxy-2,3-dimethylphenyl)benzene-1,2-diamine
CID 115126986
4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067641
5-(2-fluoroanilino)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109198899
1-N-methyl-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-diamine
CID 117027164
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107363730

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine (CID 60789932) is 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine is CC(C)Oc1ccc(Nc2cccc(F)c2N)cc1.
What is the InChIKey of 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The InChIKey is HGVJFHUKNGPMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(2)19-12-8-6-11(7-9-12)18-14-5-3-4-13(16)15(14)17/h3-10,18H,17H2,1-2H3.
What are the key properties of 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 60789932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).