2-anilino-2-ethylbutan-1-ol

C12H19NO — CID 61046791

IUPAC2-anilino-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(4-2,10-14)13-11-8-6-5-7-9-11/h5-9,13-14H,3-4,10H2,1-2H3
InChIKeyJDQAHXXSRUYUGC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.65
Rot. Bonds5

About 2-anilino-2-ethylbutan-1-ol

2-anilino-2-ethylbutan-1-ol (PubChem CID 61046791) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-anilino-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-anilino-2-ethylbutan-1-ol
PubChem CID61046791
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-anilino-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-3-12(4-2,10-14)13-11-8-6-5-7-9-11/h5-9,13-14H,3-4,10H2,1-2H3
InChIKeyJDQAHXXSRUYUGC-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 31235
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CID 8703
2-(4-Amino-N-ethylanilino)ethanol
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3-(Phenylamino)propan-1-ol
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2-(2-Ethylanilino)ethanol
CID 251080
Ethanol, 2-(4-methylphenyl)amino-
CID 220008
2-((4-Fluorophenyl)amino)ethan-1-ol
CID 25791236
m-Tolylethanolamine
CID 66886
Ethanol, 2-anilino-, hydrochloride
CID 218691
3-(1,3-Dihydroxy-2-methylpropan-2-yl)-1-phenylurea
CID 4056614
N-(2-hydroxy-1,1-dimethylethyl)-N'-phenylurea
CID 853714
(2-Hydroxy-ethyl)-dimethyl-phenyl-ammonium
CID 44335202

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-ethylbutan-1-ol?
The IUPAC name of 2-anilino-2-ethylbutan-1-ol (CID 61046791) is 2-anilino-2-ethylbutan-1-ol.
What is the SMILES notation for 2-anilino-2-ethylbutan-1-ol?
The canonical SMILES for 2-anilino-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1ccccc1.
What is the InChIKey of 2-anilino-2-ethylbutan-1-ol?
The InChIKey is JDQAHXXSRUYUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-12(4-2,10-14)13-11-8-6-5-7-9-11/h5-9,13-14H,3-4,10H2,1-2H3.
What are the key properties of 2-anilino-2-ethylbutan-1-ol?
2-anilino-2-ethylbutan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-ethylbutan-1-ol is sourced from PubChem (CID 61046791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).