2-amino-1-(3,4-difluorophenyl)-2-phenylethanol

C14H13F2NO — CID 62718129

IUPAC2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
SMILESNC(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c15-11-7-6-10(8-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,13-14,18H,17H2
InChIKeyCKVHWDXGSVPJGR-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.70
Rot. Bonds3

About 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol

2-amino-1-(3,4-difluorophenyl)-2-phenylethanol (PubChem CID 62718129) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol.

Molecular Properties

Compound Name2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
PubChem CID62718129
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
SMILESNC(c1ccccc1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2NO/c15-11-7-6-10(8-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,13-14,18H,17H2
InChIKeyCKVHWDXGSVPJGR-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 142693429
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 123991915
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
1-(3,4-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757203
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol?
The IUPAC name of 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol (CID 62718129) is 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol.
What is the SMILES notation for 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol?
The canonical SMILES for 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol is NC(c1ccccc1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol?
The InChIKey is CKVHWDXGSVPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-11-7-6-10(8-12(11)16)14(18)13(17)9-4-2-1-3-5-9/h1-8,13-14,18H,17H2.
What are the key properties of 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol?
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol has a molecular weight of 249.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-difluorophenyl)-2-phenylethanol is sourced from PubChem (CID 62718129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).