1-(4-ethoxyanilino)-2-methylbutan-2-ol

C13H21NO2 — CID 114492504

IUPAC1-(4-ethoxyanilino)-2-methylbutan-2-ol
SMILESCCOc1ccc(NCC(C)(O)CC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(3,15)10-14-11-6-8-12(9-7-11)16-5-2/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyBFYFYLPIGPBWCH-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-ethoxyanilino)-2-methylbutan-2-ol

1-(4-ethoxyanilino)-2-methylbutan-2-ol (PubChem CID 114492504) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-ethoxyanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-ethoxyanilino)-2-methylbutan-2-ol
PubChem CID114492504
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4-ethoxyanilino)-2-methylbutan-2-ol
SMILESCCOc1ccc(NCC(C)(O)CC)cc1
InChIInChI=1S/C13H21NO2/c1-4-13(3,15)10-14-11-6-8-12(9-7-11)16-5-2/h6-9,14-15H,4-5,10H2,1-3H3
InChIKeyBFYFYLPIGPBWCH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
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1-(tert-butylamino)-2-(4-ethoxyphenyl)propan-2-ol
CID 62773212
2-(4-ethoxyphenyl)-1-(methylamino)propan-2-ol
CID 62772806
N-(2-chloroprop-2-enyl)-4-ethoxyaniline
CID 60679510
3-(4-ethoxyphenyl)pentan-3-ol
CID 62788135
N-but-2-ynyl-4-ethoxyaniline
CID 62312314
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
4-ethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471877
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
1-(4-ethoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60898599
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(4-ethoxyanilino)-2-methylbutan-2-ol (CID 114492504) is 1-(4-ethoxyanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(4-ethoxyanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(4-ethoxyanilino)-2-methylbutan-2-ol is CCOc1ccc(NCC(C)(O)CC)cc1.
What is the InChIKey of 1-(4-ethoxyanilino)-2-methylbutan-2-ol?
The InChIKey is BFYFYLPIGPBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-13(3,15)10-14-11-6-8-12(9-7-11)16-5-2/h6-9,14-15H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-ethoxyanilino)-2-methylbutan-2-ol?
1-(4-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 1-(4-ethoxyanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114492504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).