2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol

C11H14F3NO3 — CID 84807568

IUPAC2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(C(N)CCO)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO3/c1-18-6-4-7(9(15)2-3-16)10(17)8(5-6)11(12,13)14/h4-5,9,16-17H,2-3,15H2,1H3
InChIKeyKIPXSRMIHUKQHX-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.80
Rot. Bonds4

About 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol

2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol (PubChem CID 84807568) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol
PubChem CID84807568
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol
SMILESCOc1cc(C(N)CCO)c(O)c(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO3/c1-18-6-4-7(9(15)2-3-16)10(17)8(5-6)11(12,13)14/h4-5,9,16-17H,2-3,15H2,1H3
InChIKeyKIPXSRMIHUKQHX-UHFFFAOYSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170875043
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
4-amino-4-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)butanoic acid
CID 117451567
2-[(1R)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55264441
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
CID 131872319
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171227710
2-(1-amino-3-hydroxypropyl)-4,6-ditert-butylphenol;hydrochloride
CID 170874618
3-amino-3-(2-chloro-5-methoxyphenyl)propan-1-ol
CID 84681414
4-amino-4-[4-methoxy-2-(trifluoromethyl)phenyl]butanoic acid
CID 117443816
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol?
The IUPAC name of 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol (CID 84807568) is 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol?
The canonical SMILES for 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol is COc1cc(C(N)CCO)c(O)c(C(F)(F)F)c1.
What is the InChIKey of 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol?
The InChIKey is KIPXSRMIHUKQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-18-6-4-7(9(15)2-3-16)10(17)8(5-6)11(12,13)14/h4-5,9,16-17H,2-3,15H2,1H3.
What are the key properties of 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol?
2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol has a molecular weight of 265.23 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-hydroxypropyl)-4-methoxy-6-(trifluoromethyl)phenol is sourced from PubChem (CID 84807568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).