2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol

C12H16ClF3N2O — CID 12988996

IUPAC2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H16ClF3N2O/c1-6(2)18-10(5-19)7-3-8(12(14,15)16)11(17)9(13)4-7/h3-4,6,10,18-19H,5,17H2,1-2H3
InChIKeyGJOCDSWUKDESHK-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.97
Rot. Bonds4

About 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol

2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol (PubChem CID 12988996) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
PubChem CID12988996
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1
InChIInChI=1S/C12H16ClF3N2O/c1-6(2)18-10(5-19)7-3-8(12(14,15)16)11(17)9(13)4-7/h3-4,6,10,18-19H,5,17H2,1-2H3
InChIKeyGJOCDSWUKDESHK-UHFFFAOYSA-N
XLogP2.97
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.97
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-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol (CID 12988996) is 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol is CC(C)NC(CO)c1cc(Cl)c(N)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
The InChIKey is GJOCDSWUKDESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF3N2O/c1-6(2)18-10(5-19)7-3-8(12(14,15)16)11(17)9(13)4-7/h3-4,6,10,18-19H,5,17H2,1-2H3.
What are the key properties of 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol?
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol has a molecular weight of 296.72 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 12988996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).