2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol

C17H25NO — CID 62358842

IUPAC2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol
SMILESCc1cccc(C2CC(NC3CCCCC3O)C2)c1
InChIInChI=1S/C17H25NO/c1-12-5-4-6-13(9-12)14-10-15(11-14)18-16-7-2-3-8-17(16)19/h4-6,9,14-19H,2-3,7-8,10-11H2,1H3
InChIKeyVORCSOSBLPZVNC-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.13
Rot. Bonds3

About 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol

2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol (PubChem CID 62358842) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol
PubChem CID62358842
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol
SMILESCc1cccc(C2CC(NC3CCCCC3O)C2)c1
InChIInChI=1S/C17H25NO/c1-12-5-4-6-13(9-12)14-10-15(11-14)18-16-7-2-3-8-17(16)19/h4-6,9,14-19H,2-3,7-8,10-11H2,1H3
InChIKeyVORCSOSBLPZVNC-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705
2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 114629282
2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol
CID 62358659
2,6-dimethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-1-amine
CID 83010056
trans-(1S,2R)-2-(3-methylphenyl)cyclohexan-1-ol
CID 36688903
1-ethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 61039134
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
2-methyl-N-(3-phenylcyclobutyl)cyclohexan-1-amine
CID 43632161
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol (CID 62358842) is 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol is Cc1cccc(C2CC(NC3CCCCC3O)C2)c1.
What is the InChIKey of 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol?
The InChIKey is VORCSOSBLPZVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-5-4-6-13(9-12)14-10-15(11-14)18-16-7-2-3-8-17(16)19/h4-6,9,14-19H,2-3,7-8,10-11H2,1H3.
What are the key properties of 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol?
2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 62358842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).