2,5-difluoro-4-(3-phenoxypropoxy)aniline

C15H15F2NO2 — CID 63599001

IUPAC2,5-difluoro-4-(3-phenoxypropoxy)aniline
SMILESNc1cc(F)c(OCCCOc2ccccc2)cc1F
InChIInChI=1S/C15H15F2NO2/c16-12-10-15(13(17)9-14(12)18)20-8-4-7-19-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,18H2
InChIKeyNBMARAYPZKJSDC-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.39
Rot. Bonds6

About 2,5-difluoro-4-(3-phenoxypropoxy)aniline

2,5-difluoro-4-(3-phenoxypropoxy)aniline (PubChem CID 63599001) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2,5-difluoro-4-(3-phenoxypropoxy)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(3-phenoxypropoxy)aniline
PubChem CID63599001
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2,5-difluoro-4-(3-phenoxypropoxy)aniline
SMILESNc1cc(F)c(OCCCOc2ccccc2)cc1F
InChIInChI=1S/C15H15F2NO2/c16-12-10-15(13(17)9-14(12)18)20-8-4-7-19-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,18H2
InChIKeyNBMARAYPZKJSDC-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718
5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
CID 63597424
3-(4-amino-2,5-difluorophenoxy)propanoic acid
CID 63947858
[3-fluoro-4-(3-phenoxypropoxy)phenyl]methanol
CID 107690963
4-ethoxy-5-fluoro-2-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 63593234
5-methyl-2-(3-phenoxypropoxy)aniline
CID 62056343
2,5-difluoro-4-(2-pyridin-3-ylethoxy)aniline
CID 63598649
[3-fluoro-4-(2-phenoxyethoxy)phenyl]methanamine
CID 28965923
5-fluoro-2-methyl-4-(4-phenylbutoxy)aniline
CID 114416119
2-fluoro-4-(3-phenoxypropylsulfinyl)aniline
CID 81191334
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
2-fluoro-6-(3-phenoxypropoxy)benzenecarbothioamide
CID 62936444

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(3-phenoxypropoxy)aniline?
The IUPAC name of 2,5-difluoro-4-(3-phenoxypropoxy)aniline (CID 63599001) is 2,5-difluoro-4-(3-phenoxypropoxy)aniline.
What is the SMILES notation for 2,5-difluoro-4-(3-phenoxypropoxy)aniline?
The canonical SMILES for 2,5-difluoro-4-(3-phenoxypropoxy)aniline is Nc1cc(F)c(OCCCOc2ccccc2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(3-phenoxypropoxy)aniline?
The InChIKey is NBMARAYPZKJSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-12-10-15(13(17)9-14(12)18)20-8-4-7-19-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,18H2.
What are the key properties of 2,5-difluoro-4-(3-phenoxypropoxy)aniline?
2,5-difluoro-4-(3-phenoxypropoxy)aniline has a molecular weight of 279.29 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(3-phenoxypropoxy)aniline is sourced from PubChem (CID 63599001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).