2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol

C10H12F3NO — CID 155890357

IUPAC2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(CO)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9-4-2-1-3-7(9)5-8(14)6-15/h1-4,8,15H,5-6,14H2
InChIKeyGEYXUGRRBOYABT-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.57
Rot. Bonds3

About 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol

2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 155890357) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID155890357
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(CO)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9-4-2-1-3-7(9)5-8(14)6-15/h1-4,8,15H,5-6,14H2
InChIKeyGEYXUGRRBOYABT-UHFFFAOYSA-N
XLogP1.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[2-(trifluoromethyl)phenyl]propane-1,1-diol
CID 135188548
4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 62962954
2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170892844
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
1-phenyl-2-[2-(trifluoromethyl)phenyl]ethanol
CID 25233734
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-[(2R)-2-amino-3-hydroxypropyl]benzamide
CID 66587137
(2S)-2-amino-2-[2,6-bis(trifluoromethyl)phenyl]ethanol
CID 66515831

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 155890357) is 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol is NC(CO)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is GEYXUGRRBOYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)9-4-2-1-3-7(9)5-8(14)6-15/h1-4,8,15H,5-6,14H2.
What are the key properties of 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol?
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 219.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 155890357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).