2-[2-(3,4-difluorophenoxy)ethyl]aniline

C14H13F2NO — CID 62497603

IUPAC2-[2-(3,4-difluorophenoxy)ethyl]aniline
SMILESNc1ccccc1CCOc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c15-12-6-5-11(9-13(12)16)18-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,17H2
InChIKeySUSMRTUHERJCRP-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.17
Rot. Bonds4

About 2-[2-(3,4-difluorophenoxy)ethyl]aniline

2-[2-(3,4-difluorophenoxy)ethyl]aniline (PubChem CID 62497603) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenoxy)ethyl]aniline.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenoxy)ethyl]aniline
PubChem CID62497603
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-[2-(3,4-difluorophenoxy)ethyl]aniline
SMILESNc1ccccc1CCOc1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c15-12-6-5-11(9-13(12)16)18-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,17H2
InChIKeySUSMRTUHERJCRP-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.17
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

2-[2-(3-ethylphenoxy)ethyl]aniline
CID 62495247
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
1-[2-[2-(3,4-difluorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62485918
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
2-[2-(2-bromo-4-methoxyphenoxy)ethyl]aniline
CID 104706778
[4-[2-(2-fluorophenyl)ethoxy]phenyl]methanamine
CID 66870059
2-[2-(3,4-difluorophenoxy)ethoxy]benzenecarbothioamide
CID 43554771
2-[2-(2-methylsulfanylphenoxy)ethyl]aniline
CID 63649319
2-[2-(2-fluoroethoxy)ethyl]aniline
CID 102902179
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
1-[2-(3,4-difluorophenoxy)ethyl]-1-methylhydrazine
CID 82282452
2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline
CID 102902193

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenoxy)ethyl]aniline?
The IUPAC name of 2-[2-(3,4-difluorophenoxy)ethyl]aniline (CID 62497603) is 2-[2-(3,4-difluorophenoxy)ethyl]aniline.
What is the SMILES notation for 2-[2-(3,4-difluorophenoxy)ethyl]aniline?
The canonical SMILES for 2-[2-(3,4-difluorophenoxy)ethyl]aniline is Nc1ccccc1CCOc1ccc(F)c(F)c1.
What is the InChIKey of 2-[2-(3,4-difluorophenoxy)ethyl]aniline?
The InChIKey is SUSMRTUHERJCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-12-6-5-11(9-13(12)16)18-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[2-(3,4-difluorophenoxy)ethyl]aniline?
2-[2-(3,4-difluorophenoxy)ethyl]aniline has a molecular weight of 249.26 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenoxy)ethyl]aniline is sourced from PubChem (CID 62497603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).