1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol

C14H23NO2 — CID 79386990

IUPAC1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H23NO2/c1-5-15(10-14(3,4)17)13-9-7-6-8-12(13)11(2)16/h6-9,11,16-17H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyFULJHTUYTSEDPW-NSHDSACASA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds5

About 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol

1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol (PubChem CID 79386990) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
PubChem CID79386990
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccccc1[C@H](C)O
InChIInChI=1S/C14H23NO2/c1-5-15(10-14(3,4)17)13-9-7-6-8-12(13)11(2)16/h6-9,11,16-17H,5,10H2,1-4H3/t11-/m0/s1
InChIKeyFULJHTUYTSEDPW-NSHDSACASA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
1-[2-[(1R)-1-hydroxyethyl]-N-methylanilino]-2-methylpropan-2-ol
CID 79386807
1-[N-ethyl-4-fluoro-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386723
1-[N-ethyl-2-[1-(propylamino)propyl]anilino]-2-methylpropan-2-ol
CID 115995337
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1S)-1-[2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63955607
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
2-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 63371338
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069

Frequently Asked Questions

What is the IUPAC name of 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol (CID 79386990) is 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccccc1[C@H](C)O.
What is the InChIKey of 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
The InChIKey is FULJHTUYTSEDPW-NSHDSACASA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-15(10-14(3,4)17)13-9-7-6-8-12(13)11(2)16/h6-9,11,16-17H,5,10H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol?
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79386990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).