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

C13H11F2NO — CID 90955661

IUPAC3,4-difluoro-5-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1-c1cc(N)cc(F)c1F
InChIInChI=1S/C13H11F2NO/c1-17-12-5-3-2-4-9(12)10-6-8(16)7-11(14)13(10)15/h2-7H,16H2,1H3
InChIKeyHZCJEOXOZOLBFB-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.22
Rot. Bonds2

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

3,4-difluoro-5-(2-methoxyphenyl)aniline (PubChem CID 90955661) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3,4-difluoro-5-(2-methoxyphenyl)aniline.

Molecular Properties

Compound Name3,4-difluoro-5-(2-methoxyphenyl)aniline
PubChem CID90955661
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3,4-difluoro-5-(2-methoxyphenyl)aniline
SMILESCOc1ccccc1-c1cc(N)cc(F)c1F
InChIInChI=1S/C13H11F2NO/c1-17-12-5-3-2-4-9(12)10-6-8(16)7-11(14)13(10)15/h2-7H,16H2,1H3
InChIKeyHZCJEOXOZOLBFB-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxy-4-methylaniline
CID 27882
3-(Phenoxymethyl)aniline
CID 427435
5-Amino-2-methoxybenzotrifluoride
CID 600705
4-Amino-4'-methoxystilbene
CID 5376491
4-Amino-4'-methoxybiphenyl
CID 2759564
4-Methoxy-2-naphthylamine
CID 151041
4-Methoxy-3,5-dimethylaniline
CID 4166097
4-(Phenoxymethyl)aniline
CID 12712561
4,4'-Methanediylbis(3-methoxyaniline)
CID 750093
4-{[5-Methyl-2-(propan-2-yl)phenoxy]methyl}aniline
CID 721780
3-Methyl-4-methoxybenzenamine
CID 67297
4-(o-Tolyloxy)aniline
CID 92505

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-5-(2-methoxyphenyl)aniline?
The IUPAC name of 3,4-difluoro-5-(2-methoxyphenyl)aniline (CID 90955661) is 3,4-difluoro-5-(2-methoxyphenyl)aniline.
What is the SMILES notation for 3,4-difluoro-5-(2-methoxyphenyl)aniline?
The canonical SMILES for 3,4-difluoro-5-(2-methoxyphenyl)aniline is COc1ccccc1-c1cc(N)cc(F)c1F.
What is the InChIKey of 3,4-difluoro-5-(2-methoxyphenyl)aniline?
The InChIKey is HZCJEOXOZOLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c1-17-12-5-3-2-4-9(12)10-6-8(16)7-11(14)13(10)15/h2-7H,16H2,1H3.
What are the key properties of 3,4-difluoro-5-(2-methoxyphenyl)aniline?
3,4-difluoro-5-(2-methoxyphenyl)aniline has a molecular weight of 235.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-5-(2-methoxyphenyl)aniline is sourced from PubChem (CID 90955661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).