2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol

C14H21NO — CID 112633293

IUPAC2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
SMILESCc1cccc(CNC2CC(O)C2(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-5-4-6-11(7-10)9-15-12-8-13(16)14(12,2)3/h4-7,12-13,15-16H,8-9H2,1-3H3
InChIKeyZVHRGACNBJQSNY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.24
Rot. Bonds3

About 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol

2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol (PubChem CID 112633293) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
PubChem CID112633293
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
SMILESCc1cccc(CNC2CC(O)C2(C)C)c1
InChIInChI=1S/C14H21NO/c1-10-5-4-6-11(7-10)9-15-12-8-13(16)14(12,2)3/h4-7,12-13,15-16H,8-9H2,1-3H3
InChIKeyZVHRGACNBJQSNY-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 113357530
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629959
2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
CID 112634022
2,2-dimethyl-3-[[3-(3-methylphenyl)cyclobutyl]amino]cyclobutan-1-ol
CID 114629282
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-[(1-ethylpyrrol-3-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114628998
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclohexan-1-ol
CID 93382278
trans-(1R,2R)-2-[(3-methylphenyl)methylamino]cyclopentan-1-ol
CID 93382274
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
2,2-dimethyl-3-(3-phenylpropylamino)cyclobutan-1-ol
CID 112633261
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
CID 112633164

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol (CID 112633293) is 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol is Cc1cccc(CNC2CC(O)C2(C)C)c1.
What is the InChIKey of 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol?
The InChIKey is ZVHRGACNBJQSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-4-6-11(7-10)9-15-12-8-13(16)14(12,2)3/h4-7,12-13,15-16H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol?
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol is sourced from PubChem (CID 112633293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).