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

C15H17FN2O — CID 62379839

IUPAC2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCOc2ccccc2)c(F)c1
InChIInChI=1S/C15H17FN2O/c16-14-11-12(17)7-8-15(14)18-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10,17H2
InChIKeyYRGUXURWEUSINF-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.29
Rot. Bonds6

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

2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine (PubChem CID 62379839) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine
PubChem CID62379839
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine
SMILESNc1ccc(NCCCOc2ccccc2)c(F)c1
InChIInChI=1S/C15H17FN2O/c16-14-11-12(17)7-8-15(14)18-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10,17H2
InChIKeyYRGUXURWEUSINF-UHFFFAOYSA-N
XLogP3.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-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-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
5-amino-2-(2-phenoxyethylamino)benzonitrile
CID 55013137
3-fluoro-4-(2-phenoxyethylamino)benzoic acid
CID 62710818
5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
CID 63488219
4-[2-(4-aminophenoxy)ethylamino]-3-fluorobenzonitrile
CID 61031110
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
3-amino-4-(3-phenoxypropylamino)benzoic acid
CID 62378598
5-bromo-4-fluoro-2-nitro-N-(2-phenoxyethyl)aniline
CID 116737071
2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 2295787
4-N-(2-phenoxyethyl)benzene-1,2,4-triamine
CID 106750634
4-bromo-2,3-dichloro-N-(3-phenoxypropyl)aniline
CID 107789062
1-N-[3-(diethylamino)propyl]-2-fluorobenzene-1,4-diamine
CID 28972669

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine (CID 62379839) is 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine is Nc1ccc(NCCCOc2ccccc2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine?
The InChIKey is YRGUXURWEUSINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c16-14-11-12(17)7-8-15(14)18-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10,17H2.
What are the key properties of 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine?
2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine has a molecular weight of 260.31 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine is sourced from PubChem (CID 62379839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).