1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol

C12H17F3N2O — CID 55055206

IUPAC1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCN(CC(O)c1cccc(N)c1)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-2-17(8-12(13,14)15)7-11(18)9-4-3-5-10(16)6-9/h3-6,11,18H,2,7-8,16H2,1H3
InChIKeyDSCPMPNWDDGCCF-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.19
Rot. Bonds5

About 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol

1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 55055206) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID55055206
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCCN(CC(O)c1cccc(N)c1)CC(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-2-17(8-12(13,14)15)7-11(18)9-4-3-5-10(16)6-9/h3-6,11,18H,2,7-8,16H2,1H3
InChIKeyDSCPMPNWDDGCCF-UHFFFAOYSA-N
XLogP2.19
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459084
1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
CID 111496501
1-(3-aminophenyl)-5,5,5-trifluoropentan-1-ol
CID 106695875
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
1-(3-aminophenyl)-2-[2-methylpropyl(propan-2-yl)amino]ethanol
CID 55055157
1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile
CID 63284375
2-[2-aminoethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 114231232
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
CID 63877706

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 55055206) is 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol is CCN(CC(O)c1cccc(N)c1)CC(F)(F)F.
What is the InChIKey of 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is DSCPMPNWDDGCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-17(8-12(13,14)15)7-11(18)9-4-3-5-10(16)6-9/h3-6,11,18H,2,7-8,16H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol?
1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 262.27 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 55055206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).