3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol

C16H25NO2 — CID 112633972

IUPAC3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCCC(C)Oc1cccc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C16H25NO2/c1-5-11(2)19-13-8-6-7-12(9-13)17-14-10-15(18)16(14,3)4/h6-9,11,14-15,17-18H,5,10H2,1-4H3
InChIKeyQUGSRSBTYDZLGE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.44
Rot. Bonds5

About 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol

3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol (PubChem CID 112633972) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
PubChem CID112633972
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol
SMILESCCC(C)Oc1cccc(NC2CC(O)C2(C)C)c1
InChIInChI=1S/C16H25NO2/c1-5-11(2)19-13-8-6-7-12(9-13)17-14-10-15(18)16(14,3)4/h6-9,11,14-15,17-18H,5,10H2,1-4H3
InChIKeyQUGSRSBTYDZLGE-UHFFFAOYSA-N
XLogP3.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-butan-2-yloxyanilino)cyclohexan-1-ol
CID 106594573
2,2-dimethyl-3-[3-(trifluoromethoxy)anilino]cyclobutan-1-ol
CID 112633237
3-butan-2-yloxy-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561868
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
N-(3-butan-2-yloxyphenyl)piperidin-4-amine
CID 62325027
N-(3-butan-2-yloxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 62326820
(3S)-N-[3-[(2S)-butan-2-yl]oxyphenyl]oxolan-3-amine
CID 98509677
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
2-(3-butan-2-yloxyanilino)-1-pyrrolidin-1-ylethanone
CID 62328413
3-(3-butan-2-yloxyanilino)azepan-2-one
CID 61494916
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol (CID 112633972) is 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol is CCC(C)Oc1cccc(NC2CC(O)C2(C)C)c1.
What is the InChIKey of 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is QUGSRSBTYDZLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-11(2)19-13-8-6-7-12(9-13)17-14-10-15(18)16(14,3)4/h6-9,11,14-15,17-18H,5,10H2,1-4H3.
What are the key properties of 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol?
3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-yloxyanilino)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 112633972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).