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

C15H17FN2O — CID 29067640

IUPAC4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
SMILESCC(C)Oc1ccc(Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H17FN2O/c1-10(2)19-13-6-4-12(5-7-13)18-15-8-3-11(16)9-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyWPCQBXPYNBJMSD-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.94
Rot. Bonds4

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

4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine (PubChem CID 29067640) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
PubChem CID29067640
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
SMILESCC(C)Oc1ccc(Nc2ccc(F)cc2N)cc1
InChIInChI=1S/C15H17FN2O/c1-10(2)19-13-6-4-12(5-7-13)18-15-8-3-11(16)9-14(15)17/h3-10,18H,17H2,1-2H3
InChIKeyWPCQBXPYNBJMSD-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'}

Analyze 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-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

4-fluoro-2-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 55067775
4-bromo-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 29067641
1-N-(4-ethoxyphenyl)-4-fluorobenzene-1,2-diamine
CID 29066421
4-fluoro-1-N-(4-methylsulfanylphenyl)benzene-1,2-diamine
CID 29066750
2-amino-4-fluoro-N-(4-propan-2-yloxyphenyl)benzamide
CID 63109637
3-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine
CID 60789932
1-N-(3-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 54794975
4-N-(4-fluoro-2-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83001941
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
4-fluoro-1-N-(4-methoxy-2-methylphenyl)benzene-1,2-diamine
CID 62868013
1-N-(4-ethylsulfanylphenyl)-4-fluorobenzene-1,2-diamine
CID 115124716
5-chloro-6-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2,4-triamine
CID 103552628

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine (CID 29067640) is 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine is CC(C)Oc1ccc(Nc2ccc(F)cc2N)cc1.
What is the InChIKey of 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
The InChIKey is WPCQBXPYNBJMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-10(2)19-13-6-4-12(5-7-13)18-15-8-3-11(16)9-14(15)17/h3-10,18H,17H2,1-2H3.
What are the key properties of 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine?
4-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 4-fluoro-1-N-(4-propan-2-yloxyphenyl)benzene-1,2-diamine is sourced from PubChem (CID 29067640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).