4-(2-ethoxyanilino)-2-methylbutan-2-ol

C13H21NO2 — CID 79359575

IUPAC4-(2-ethoxyanilino)-2-methylbutan-2-ol
SMILESCCOc1ccccc1NCCC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-4-16-12-8-6-5-7-11(12)14-10-9-13(2,3)15/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeySOHNOFYJYKBJKC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds6

About 4-(2-ethoxyanilino)-2-methylbutan-2-ol

4-(2-ethoxyanilino)-2-methylbutan-2-ol (PubChem CID 79359575) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-ethoxyanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-ethoxyanilino)-2-methylbutan-2-ol
PubChem CID79359575
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-(2-ethoxyanilino)-2-methylbutan-2-ol
SMILESCCOc1ccccc1NCCC(C)(C)O
InChIInChI=1S/C13H21NO2/c1-4-16-12-8-6-5-7-11(12)14-10-9-13(2,3)15/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeySOHNOFYJYKBJKC-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-ethoxy-N-(2-fluoroethyl)aniline
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3-(2-ethoxyanilino)propanamide
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N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124
N-(3,3-dimethylbutyl)-2-propoxyaniline
CID 63427056
3-(2-ethoxyanilino)propanenitrile
CID 7100
N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
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2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
3-(2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039806
2-ethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]aniline
CID 54798096
N-[2-(4-bromophenoxy)ethyl]-2-ethoxyaniline
CID 63488256
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
CID 91658115

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyanilino)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-ethoxyanilino)-2-methylbutan-2-ol (CID 79359575) is 4-(2-ethoxyanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-ethoxyanilino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-ethoxyanilino)-2-methylbutan-2-ol is CCOc1ccccc1NCCC(C)(C)O.
What is the InChIKey of 4-(2-ethoxyanilino)-2-methylbutan-2-ol?
The InChIKey is SOHNOFYJYKBJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-16-12-8-6-5-7-11(12)14-10-9-13(2,3)15/h5-8,14-15H,4,9-10H2,1-3H3.
What are the key properties of 4-(2-ethoxyanilino)-2-methylbutan-2-ol?
4-(2-ethoxyanilino)-2-methylbutan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 79359575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).