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

C13H21FN2O — CID 63592733

IUPAC4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)CNc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C13H21FN2O/c1-8(2)7-16-12-6-13(17-9(3)4)10(14)5-11(12)15/h5-6,8-9,16H,7,15H2,1-4H3
InChIKeyQICBCDXVEQMNPG-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.26
Rot. Bonds5

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

4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 63592733) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID63592733
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)CNc1cc(OC(C)C)c(F)cc1N
InChIInChI=1S/C13H21FN2O/c1-8(2)7-16-12-6-13(17-9(3)4)10(14)5-11(12)15/h5-6,8-9,16H,7,15H2,1-4H3
InChIKeyQICBCDXVEQMNPG-UHFFFAOYSA-N
XLogP3.26
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-N-(2-methylpropyl)-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-(dimethylamino)propyl]-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 55217444
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
4-fluoro-1-N-[(E)-pent-3-enyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 113465312
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
CID 83116533
1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
CID 65102598
4-fluoro-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592421
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
4-fluoro-1-N-[(3-methylphenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592243
4-fluoro-5-propan-2-yloxy-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,2-diamine
CID 64545724
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylethanesulfonamide
CID 106334507
4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
CID 102694545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine (CID 63592733) is 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine is CC(C)CNc1cc(OC(C)C)c(F)cc1N.
What is the InChIKey of 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is QICBCDXVEQMNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-8(2)7-16-12-6-13(17-9(3)4)10(14)5-11(12)15/h5-6,8-9,16H,7,15H2,1-4H3.
What are the key properties of 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine?
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 240.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 63592733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).