3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol

C14H19NO — CID 116505430

IUPAC3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
SMILESNC1CC(O)(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C14H19NO/c15-13-8-14(16,9-13)12-6-4-11(5-7-12)10-2-1-3-10/h4-7,10,13,16H,1-3,8-9,15H2
InChIKeyWKDNJZZSODVZEQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.26
Rot. Bonds2

About 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol

3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol (PubChem CID 116505430) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
PubChem CID116505430
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol
SMILESNC1CC(O)(c2ccc(C3CCC3)cc2)C1
InChIInChI=1S/C14H19NO/c15-13-8-14(16,9-13)12-6-4-11(5-7-12)10-2-1-3-10/h4-7,10,13,16H,1-3,8-9,15H2
InChIKeyWKDNJZZSODVZEQ-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 114601502
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3-(4-cyclohexylphenyl)oxetan-3-ol
CID 116872960
1-(4-cyclobutylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449706
4-(4-cyclobutylphenyl)-1,2-dimethylpiperidin-4-ol
CID 116505443
1-(4-cyclobutylphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 116505382
3-(4-cyclobutylphenyl)cyclopentan-1-amine
CID 116506752
1-[4-(1-methylazepan-4-yl)phenyl]cyclopropan-1-ol
CID 117365932
1-(4-cyclobutylphenyl)-2,2-dimethylcyclohexan-1-ol
CID 116505410
1-[4-(thian-4-yl)phenyl]cyclopropan-1-ol
CID 117341216
[1-(4-cyclobutylphenyl)cyclopropyl]methanamine
CID 117290330
3-amino-1-(4-methylphenyl)cyclopentan-1-ol
CID 80562597

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol (CID 116505430) is 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol is NC1CC(O)(c2ccc(C3CCC3)cc2)C1.
What is the InChIKey of 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol?
The InChIKey is WKDNJZZSODVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-13-8-14(16,9-13)12-6-4-11(5-7-12)10-2-1-3-10/h4-7,10,13,16H,1-3,8-9,15H2.
What are the key properties of 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol?
3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol has a molecular weight of 217.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-cyclobutylphenyl)cyclobutan-1-ol is sourced from PubChem (CID 116505430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).