4-(3-ethylanilino)-2-methylbutan-2-ol

C13H21NO — CID 79360431

IUPAC4-(3-ethylanilino)-2-methylbutan-2-ol
SMILESCCc1cccc(NCCC(C)(C)O)c1
InChIInChI=1S/C13H21NO/c1-4-11-6-5-7-12(10-11)14-9-8-13(2,3)15/h5-7,10,14-15H,4,8-9H2,1-3H3
InChIKeyNAVOAPQXPHZIPS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.82
Rot. Bonds5

About 4-(3-ethylanilino)-2-methylbutan-2-ol

4-(3-ethylanilino)-2-methylbutan-2-ol (PubChem CID 79360431) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(3-ethylanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-ethylanilino)-2-methylbutan-2-ol
PubChem CID79360431
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name4-(3-ethylanilino)-2-methylbutan-2-ol
SMILESCCc1cccc(NCCC(C)(C)O)c1
InChIInChI=1S/C13H21NO/c1-4-11-6-5-7-12(10-11)14-9-8-13(2,3)15/h5-7,10,14-15H,4,8-9H2,1-3H3
InChIKeyNAVOAPQXPHZIPS-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 58064173
CID 58064173
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3-ethyl-N-(4-phenylbutyl)aniline
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2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
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3-ethyl-N-(4-methylsulfanylbutyl)aniline
CID 103087215
ethyl 3-(3-ethylanilino)propanoate
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CID 123497942
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
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3-(3-ethylanilino)propanimidamide;dihydrochloride
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CID 61483073

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylanilino)-2-methylbutan-2-ol?
The IUPAC name of 4-(3-ethylanilino)-2-methylbutan-2-ol (CID 79360431) is 4-(3-ethylanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-ethylanilino)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-ethylanilino)-2-methylbutan-2-ol is CCc1cccc(NCCC(C)(C)O)c1.
What is the InChIKey of 4-(3-ethylanilino)-2-methylbutan-2-ol?
The InChIKey is NAVOAPQXPHZIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-6-5-7-12(10-11)14-9-8-13(2,3)15/h5-7,10,14-15H,4,8-9H2,1-3H3.
What are the key properties of 4-(3-ethylanilino)-2-methylbutan-2-ol?
4-(3-ethylanilino)-2-methylbutan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 79360431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).