[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol

C10H13F3N2O — CID 66518100

IUPAC[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol
SMILESNC[C@H](N)c1ccc(C(F)(F)F)cc1CO
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-1-2-8(9(15)4-14)6(3-7)5-16/h1-3,9,16H,4-5,14-15H2/t9-/m0/s1
InChIKeyHTSJFLOKWIBZGB-VIFPVBQESA-N
MW234.22 g/mol
LogP1.16
Rot. Bonds3

About [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol

[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol (PubChem CID 66518100) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol
PubChem CID66518100
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol
SMILESNC[C@H](N)c1ccc(C(F)(F)F)cc1CO
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-1-2-8(9(15)4-14)6(3-7)5-16/h1-3,9,16H,4-5,14-15H2/t9-/m0/s1
InChIKeyHTSJFLOKWIBZGB-VIFPVBQESA-N
XLogP1.16
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-5-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 66517614
(3R)-3-amino-3-[2-bromo-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131873275
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226925
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171229824
3-azido-1-[2-(hydroxymethyl)-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170826888
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
(4S)-4-amino-4-[2-bromo-5-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226799
2-[(1S)-1-amino-2-hydroxyethyl]-5-(trifluoromethyl)benzonitrile
CID 66515112
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171210222
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 171207355

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol (CID 66518100) is [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol is NC[C@H](N)c1ccc(C(F)(F)F)cc1CO.
What is the InChIKey of [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is HTSJFLOKWIBZGB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)7-1-2-8(9(15)4-14)6(3-7)5-16/h1-3,9,16H,4-5,14-15H2/t9-/m0/s1.
What are the key properties of [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol?
[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 234.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 66518100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).