2-[(2,3-difluorophenyl)methoxy]ethanamine

C9H11F2NO — CID 62343610

IUPAC2-[(2,3-difluorophenyl)methoxy]ethanamine
SMILESNCCOCc1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c10-8-3-1-2-7(9(8)11)6-13-5-4-12/h1-3H,4-6,12H2
InChIKeyQDWADMXKJXOSJD-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.44
Rot. Bonds4

About 2-[(2,3-difluorophenyl)methoxy]ethanamine

2-[(2,3-difluorophenyl)methoxy]ethanamine (PubChem CID 62343610) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methoxy]ethanamine
PubChem CID62343610
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[(2,3-difluorophenyl)methoxy]ethanamine
SMILESNCCOCc1cccc(F)c1F
InChIInChI=1S/C9H11F2NO/c10-8-3-1-2-7(9(8)11)6-13-5-4-12/h1-3H,4-6,12H2
InChIKeyQDWADMXKJXOSJD-UHFFFAOYSA-N
XLogP1.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,3-difluorophenyl)methanamine
CID 2736941
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
2-(2-aminoethoxymethyl)-6-methoxyaniline
CID 155114674
1-(2-ethoxyethyl)-2,3-difluorobenzene
CID 57195328
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
(2,3-difluorophenyl)methyl methanesulfonate
CID 102620759
2-fluoro-3-(3-methylbutoxymethyl)aniline
CID 107347874
1,2-difluoro-3-(iodomethyl)benzene
CID 64789130
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methoxy]ethanamine?
The IUPAC name of 2-[(2,3-difluorophenyl)methoxy]ethanamine (CID 62343610) is 2-[(2,3-difluorophenyl)methoxy]ethanamine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methoxy]ethanamine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methoxy]ethanamine is NCCOCc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methoxy]ethanamine?
The InChIKey is QDWADMXKJXOSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-8-3-1-2-7(9(8)11)6-13-5-4-12/h1-3H,4-6,12H2.
What are the key properties of 2-[(2,3-difluorophenyl)methoxy]ethanamine?
2-[(2,3-difluorophenyl)methoxy]ethanamine has a molecular weight of 187.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methoxy]ethanamine is sourced from PubChem (CID 62343610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).