2-(3-butan-2-yloxyanilino)ethanol

C12H19NO2 — CID 62328235

IUPAC2-(3-butan-2-yloxyanilino)ethanol
SMILESCCC(C)Oc1cccc(NCCO)c1
InChIInChI=1S/C12H19NO2/c1-3-10(2)15-12-6-4-5-11(9-12)13-7-8-14/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyGOEKMDQNWLEIDQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.27
Rot. Bonds6

About 2-(3-butan-2-yloxyanilino)ethanol

2-(3-butan-2-yloxyanilino)ethanol (PubChem CID 62328235) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3-butan-2-yloxyanilino)ethanol.

Molecular Properties

Compound Name2-(3-butan-2-yloxyanilino)ethanol
PubChem CID62328235
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(3-butan-2-yloxyanilino)ethanol
SMILESCCC(C)Oc1cccc(NCCO)c1
InChIInChI=1S/C12H19NO2/c1-3-10(2)15-12-6-4-5-11(9-12)13-7-8-14/h4-6,9-10,13-14H,3,7-8H2,1-2H3
InChIKeyGOEKMDQNWLEIDQ-UHFFFAOYSA-N
XLogP2.27
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
CID 114493050
3-butan-2-yloxy-N-[2-(2-methylphenyl)ethyl]aniline
CID 54803067
3-butan-2-yloxy-N-[2-(4-methylphenoxy)ethyl]aniline
CID 54802754
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yloxyanilino)ethanol?
The IUPAC name of 2-(3-butan-2-yloxyanilino)ethanol (CID 62328235) is 2-(3-butan-2-yloxyanilino)ethanol.
What is the SMILES notation for 2-(3-butan-2-yloxyanilino)ethanol?
The canonical SMILES for 2-(3-butan-2-yloxyanilino)ethanol is CCC(C)Oc1cccc(NCCO)c1.
What is the InChIKey of 2-(3-butan-2-yloxyanilino)ethanol?
The InChIKey is GOEKMDQNWLEIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-10(2)15-12-6-4-5-11(9-12)13-7-8-14/h4-6,9-10,13-14H,3,7-8H2,1-2H3.
What are the key properties of 2-(3-butan-2-yloxyanilino)ethanol?
2-(3-butan-2-yloxyanilino)ethanol has a molecular weight of 209.29 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-yloxyanilino)ethanol is sourced from PubChem (CID 62328235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).