3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol

C15H23NO — CID 113357530

IUPAC3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1ccc(CNC2CC(O)C2(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-12(11(2)7-10)9-16-13-8-14(17)15(13,3)4/h5-7,13-14,16-17H,8-9H2,1-4H3
InChIKeyOCVFEMHAMOTSCL-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.55
Rot. Bonds3

About 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 113357530) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID113357530
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCc1ccc(CNC2CC(O)C2(C)C)c(C)c1
InChIInChI=1S/C15H23NO/c1-10-5-6-12(11(2)7-10)9-16-13-8-14(17)15(13,3)4/h5-7,13-14,16-17H,8-9H2,1-4H3
InChIKeyOCVFEMHAMOTSCL-UHFFFAOYSA-N
XLogP2.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861534
2,2-dimethyl-3-[(2,3,4-trimethoxyphenyl)methylamino]cyclobutan-1-ol
CID 115977495
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 112633838
3-[(2-cyclopropylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629076
3-[(4-chloro-2-nitrophenyl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 114629409
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
CID 115977863
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220
3-fluoro-N'-hydroxy-4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629968
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
2,2-dimethyl-3-[(2-methyl-3-nitrophenyl)methylamino]cyclobutan-1-ol
CID 114629537

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 113357530) is 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol is Cc1ccc(CNC2CC(O)C2(C)C)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is OCVFEMHAMOTSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-5-6-12(11(2)7-10)9-16-13-8-14(17)15(13,3)4/h5-7,13-14,16-17H,8-9H2,1-4H3.
What are the key properties of 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 113357530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).