2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline

C15H15F2NO — CID 102902193

IUPAC2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline
SMILESNc1ccccc1CCOCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2NO/c16-13-7-11(8-14(17)9-13)10-19-6-5-12-3-1-2-4-15(12)18/h1-4,7-9H,5-6,10,18H2
InChIKeyDRMJMVBRTYHIDR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.31
Rot. Bonds5

About 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline

2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline (PubChem CID 102902193) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline
PubChem CID102902193
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline
SMILESNc1ccccc1CCOCc1cc(F)cc(F)c1
InChIInChI=1S/C15H15F2NO/c16-13-7-11(8-14(17)9-13)10-19-6-5-12-3-1-2-4-15(12)18/h1-4,7-9H,5-6,10,18H2
InChIKeyDRMJMVBRTYHIDR-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline
CID 107878129
2-[2-[(2-chloro-4-fluorophenyl)methoxy]ethyl]aniline
CID 102902199
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)ethyl]aniline
CID 102902166
2-[2-(2-fluoroethoxy)ethyl]aniline
CID 102902179
2-(2-ethoxyethyl)aniline
CID 14619442
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
CID 112646463
2-[2-(3,4-difluorophenoxy)ethyl]aniline
CID 62497603
4-[2-(2-aminophenyl)ethoxymethyl]-3-chlorobenzonitrile
CID 102902381
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
2-[[(3,5-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 105404018
2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
CID 102902173
2-[2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]ethyl]aniline
CID 102902429

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline?
The IUPAC name of 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline (CID 102902193) is 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline is Nc1ccccc1CCOCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline?
The InChIKey is DRMJMVBRTYHIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-7-11(8-14(17)9-13)10-19-6-5-12-3-1-2-4-15(12)18/h1-4,7-9H,5-6,10,18H2.
What are the key properties of 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline?
2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline has a molecular weight of 263.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-difluorophenyl)methoxy]ethyl]aniline is sourced from PubChem (CID 102902193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).