2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol

C10H12F3NO — CID 11951760

IUPAC2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESOCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9-3-1-2-8(6-9)7-14-4-5-15/h1-3,6,14-15H,4-5,7H2
InChIKeyDNYNHDFVNVLJLF-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.79
Rot. Bonds4

About 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol

2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol (PubChem CID 11951760) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
PubChem CID11951760
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
SMILESOCCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9-3-1-2-8(6-9)7-14-4-5-15/h1-3,6,14-15H,4-5,7H2
InChIKeyDNYNHDFVNVLJLF-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzylethanolamine
CID 4348
2-((1-Phenylethyl)amino)ethan-1-ol
CID 14909
N-Phenethylethanolamine
CID 17826
N-(2-hydroxyethyl)benzenecarbothioamide
CID 2731056
Benzyl(2-methoxyethyl)amine
CID 2396989
3-(Benzylamino)-1,1,1-trifluoropropan-2-ol
CID 3787794
3-(Benzylamino)propanol
CID 78448
2-(Benzylamino)propan-1-ol
CID 138873
Benzenemethanamine, N-methyl-3-(trifluoromethyl)-
CID 485414
(R)-2-(benzylamino)butan-1-ol
CID 927306
1,1,1-Trifluoro-3-[[[2-(trifluoromethyl)phenyl]methyl]amino]-2-propanol
CID 2783073
2-[(2-Fluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 783973

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The IUPAC name of 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol (CID 11951760) is 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The canonical SMILES for 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol is OCCNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
The InChIKey is DNYNHDFVNVLJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)9-3-1-2-8(6-9)7-14-4-5-15/h1-3,6,14-15H,4-5,7H2.
What are the key properties of 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol?
2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol has a molecular weight of 219.21 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol is sourced from PubChem (CID 11951760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).