1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol

C13H20ClNO2 — CID 79387897

IUPAC1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cccc(Cl)c1CO
InChIInChI=1S/C13H20ClNO2/c1-4-15(9-13(2,3)17)12-7-5-6-11(14)10(12)8-16/h5-7,16-17H,4,8-9H2,1-3H3
InChIKeyXAEJCEYYCUGWNY-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.43
Rot. Bonds5

About 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol

1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol (PubChem CID 79387897) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
PubChem CID79387897
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1cccc(Cl)c1CO
InChIInChI=1S/C13H20ClNO2/c1-4-15(9-13(2,3)17)12-7-5-6-11(14)10(12)8-16/h5-7,16-17H,4,8-9H2,1-3H3
InChIKeyXAEJCEYYCUGWNY-UHFFFAOYSA-N
XLogP2.43
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79390759
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387650
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
CID 63541422
2-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986481
1-[2-[(1R)-1-aminopropyl]-N-ethylanilino]-2-methylpropan-2-ol
CID 103959017
1-[2-(aminomethyl)-N-ethylanilino]-2-methylpropan-2-ol
CID 79384049
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
1-(N-ethyl-2-methylsulfonylanilino)-2-methylpropan-2-ol
CID 79390069
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
[2-chloro-6-[propan-2-yl(2,2,2-trifluoroethyl)amino]phenyl]methanol
CID 55010201
[2-chloro-6-[cyclohexyl(ethyl)amino]phenyl]methanol
CID 28945722
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarbothioamide
CID 79379095

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol (CID 79387897) is 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1cccc(Cl)c1CO.
What is the InChIKey of 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
The InChIKey is XAEJCEYYCUGWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-15(9-13(2,3)17)12-7-5-6-11(14)10(12)8-16/h5-7,16-17H,4,8-9H2,1-3H3.
What are the key properties of 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol?
1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol has a molecular weight of 257.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79387897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).