2-(1-aminoethyl)-5-(difluoromethyl)phenol

C9H11F2NO — CID 84660907

IUPAC2-(1-aminoethyl)-5-(difluoromethyl)phenol
SMILESCC(N)c1ccc(C(F)F)cc1O
InChIInChI=1S/C9H11F2NO/c1-5(12)7-3-2-6(9(10)11)4-8(7)13/h2-5,9,13H,12H2,1H3
InChIKeyORHTZRXNFDLXTF-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.35
Rot. Bonds2

About 2-(1-aminoethyl)-5-(difluoromethyl)phenol

2-(1-aminoethyl)-5-(difluoromethyl)phenol (PubChem CID 84660907) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(difluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(difluoromethyl)phenol
PubChem CID84660907
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(1-aminoethyl)-5-(difluoromethyl)phenol
SMILESCC(N)c1ccc(C(F)F)cc1O
InChIInChI=1S/C9H11F2NO/c1-5(12)7-3-2-6(9(10)11)4-8(7)13/h2-5,9,13H,12H2,1H3
InChIKeyORHTZRXNFDLXTF-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
CID 117290732
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
1-chloro-1-[4-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394353
2-[4-(difluoromethyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 117310466
3-amino-2-[4-(difluoromethyl)-2-hydroxyphenyl]propanoic acid
CID 84694286
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]benzene-1,3-diol;hydrochloride
CID 171160934
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
5-(difluoromethyl)-2-hydrazinylphenol
CID 118835155
2-amino-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-ol
CID 84684485
4-(1-amino-2-methylpropyl)benzene-1,2-diol
CID 55283190
2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(difluoromethyl)phenol?
The IUPAC name of 2-(1-aminoethyl)-5-(difluoromethyl)phenol (CID 84660907) is 2-(1-aminoethyl)-5-(difluoromethyl)phenol.
What is the SMILES notation for 2-(1-aminoethyl)-5-(difluoromethyl)phenol?
The canonical SMILES for 2-(1-aminoethyl)-5-(difluoromethyl)phenol is CC(N)c1ccc(C(F)F)cc1O.
What is the InChIKey of 2-(1-aminoethyl)-5-(difluoromethyl)phenol?
The InChIKey is ORHTZRXNFDLXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(12)7-3-2-6(9(10)11)4-8(7)13/h2-5,9,13H,12H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-(difluoromethyl)phenol?
2-(1-aminoethyl)-5-(difluoromethyl)phenol has a molecular weight of 187.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(difluoromethyl)phenol is sourced from PubChem (CID 84660907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).