1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol

C15H25NO2 — CID 114493050

IUPAC1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
SMILESCCC(C)Oc1cccc(NCC(C)(O)CC)c1
InChIInChI=1S/C15H25NO2/c1-5-12(3)18-14-9-7-8-13(10-14)16-11-15(4,17)6-2/h7-10,12,16-17H,5-6,11H2,1-4H3
InChIKeyVJMCBUYRPLQTMH-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.44
Rot. Bonds7

About 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol

1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol (PubChem CID 114493050) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
PubChem CID114493050
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol
SMILESCCC(C)Oc1cccc(NCC(C)(O)CC)c1
InChIInChI=1S/C15H25NO2/c1-5-12(3)18-14-9-7-8-13(10-14)16-11-15(4,17)6-2/h7-10,12,16-17H,5-6,11H2,1-4H3
InChIKeyVJMCBUYRPLQTMH-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-butan-2-yloxyanilino)-2,2-dimethylpropanoic acid
CID 79624884
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
2-(3-butan-2-yloxyanilino)-N-(2-methylbutan-2-yl)acetamide
CID 62328408
3-butan-2-yloxy-N-(3,3,3-trifluoropropyl)aniline
CID 64554822
2-(3-butan-2-yloxyanilino)-N-methylacetamide
CID 54830374
ethyl 3-(3-butan-2-yloxyanilino)propanoate
CID 62327020
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
N-[2-(3-butan-2-yloxyanilino)ethyl]acetamide
CID 107529384
1-(3-butan-2-yloxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 62328410
3-(3-butan-2-yloxyanilino)-N-ethylpropanamide
CID 62327713

Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol (CID 114493050) is 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol is CCC(C)Oc1cccc(NCC(C)(O)CC)c1.
What is the InChIKey of 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol?
The InChIKey is VJMCBUYRPLQTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-12(3)18-14-9-7-8-13(10-14)16-11-15(4,17)6-2/h7-10,12,16-17H,5-6,11H2,1-4H3.
What are the key properties of 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol?
1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxyanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114493050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).