2-(ethylamino)-5-(trifluoromethyl)phenol

C9H10F3NO — CID 82262951

IUPAC2-(ethylamino)-5-(trifluoromethyl)phenol
SMILESCCNc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C9H10F3NO/c1-2-13-7-4-3-6(5-8(7)14)9(10,11)12/h3-5,13-14H,2H2,1H3
InChIKeyVNXYSVPHHMFJAC-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.84
Rot. Bonds2

About 2-(ethylamino)-5-(trifluoromethyl)phenol

2-(ethylamino)-5-(trifluoromethyl)phenol (PubChem CID 82262951) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(ethylamino)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(ethylamino)-5-(trifluoromethyl)phenol
PubChem CID82262951
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(ethylamino)-5-(trifluoromethyl)phenol
SMILESCCNc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C9H10F3NO/c1-2-13-7-4-3-6(5-8(7)14)9(10,11)12/h3-5,13-14H,2H2,1H3
InChIKeyVNXYSVPHHMFJAC-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
2-[[2-(2-hydroxyphenyl)-3-propan-2-ylphenyl]methylamino]-5-(trifluoromethyl)phenol
CID 166438902
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
CID 117295401
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
2-methyl-4-(trifluoromethyl)phenol;hydrochloride
CID 172689490
2-(1-hydroxyethenyl)-5-(trifluoromethyl)phenol
CID 162619024
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
3-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-methylbutanoic acid
CID 117409702

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(ethylamino)-5-(trifluoromethyl)phenol (CID 82262951) is 2-(ethylamino)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(ethylamino)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(ethylamino)-5-(trifluoromethyl)phenol is CCNc1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-(ethylamino)-5-(trifluoromethyl)phenol?
The InChIKey is VNXYSVPHHMFJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-13-7-4-3-6(5-8(7)14)9(10,11)12/h3-5,13-14H,2H2,1H3.
What are the key properties of 2-(ethylamino)-5-(trifluoromethyl)phenol?
2-(ethylamino)-5-(trifluoromethyl)phenol has a molecular weight of 205.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 82262951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).