2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride

C13H20ClF3N2O — CID 24997731

IUPAC2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
SMILESCC(C)(C)NC(CO)c1ccc(N)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H19F3N2O.ClH/c1-12(2,3)18-11(7-19)8-4-5-10(17)9(6-8)13(14,15)16;/h4-6,11,18-19H,7,17H2,1-3H3;1H
InChIKeyNNVADZMOGQDPDX-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.13
Rot. Bonds3

About 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride

2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride (PubChem CID 24997731) has the molecular formula C13H20ClF3N2O and a molecular weight of 312.76 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
PubChem CID24997731
Molecular FormulaC13H20ClF3N2O
Molecular Weight312.76 g/mol
Exact Mass312.12
IUPAC Name2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
SMILESCC(C)(C)NC(CO)c1ccc(N)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C13H19F3N2O.ClH/c1-12(2,3)18-11(7-19)8-4-5-10(17)9(6-8)13(14,15)16;/h4-6,11,18-19H,7,17H2,1-3H3;1H
InChIKeyNNVADZMOGQDPDX-UHFFFAOYSA-N
XLogP3.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride (CID 24997731) is 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride is CC(C)(C)NC(CO)c1ccc(N)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride?
The InChIKey is NNVADZMOGQDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O.ClH/c1-12(2,3)18-11(7-19)8-4-5-10(17)9(6-8)13(14,15)16;/h4-6,11,18-19H,7,17H2,1-3H3;1H.
What are the key properties of 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride?
2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride has a molecular weight of 312.76 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride is sourced from PubChem (CID 24997731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).