[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol

C14H21NO — CID 115733318

IUPAC[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
SMILESCc1ccc(CNC2(CO)CCC2)cc1C
InChIInChI=1S/C14H21NO/c1-11-4-5-13(8-12(11)2)9-15-14(10-16)6-3-7-14/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyROITYHQOFKAANM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.31
Rot. Bonds4

About [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol

[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol (PubChem CID 115733318) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
PubChem CID115733318
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
SMILESCc1ccc(CNC2(CO)CCC2)cc1C
InChIInChI=1S/C14H21NO/c1-11-4-5-13(8-12(11)2)9-15-14(10-16)6-3-7-14/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3
InChIKeyROITYHQOFKAANM-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(3-fluoro-4-methylphenyl)methylamino]cyclopentyl]methanol
CID 63645721
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
[1-[(3,4-dimethoxyphenyl)methylamino]cyclobutyl]methanol
CID 115733291
[1-[(4-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62523971
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
[1-[(3-bromo-4-chlorophenyl)methylamino]cyclobutyl]methanol
CID 115909414
1-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 115673846
[4-[(4-bromo-3-methylphenyl)methylamino]oxan-4-yl]methanol
CID 71984686
[1-[(4-fluoro-3-methylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553502
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 105401701
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
[1-[(4-methoxy-3-nitrophenyl)methylamino]cyclobutyl]methanol
CID 115733413

Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol (CID 115733318) is [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol is Cc1ccc(CNC2(CO)CCC2)cc1C.
What is the InChIKey of [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol?
The InChIKey is ROITYHQOFKAANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-5-13(8-12(11)2)9-15-14(10-16)6-3-7-14/h4-5,8,15-16H,3,6-7,9-10H2,1-2H3.
What are the key properties of [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol?
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).