[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol

C14H21NO — CID 115733266

IUPAC[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
SMILESCc1cccc(CNC2(CO)CCC2)c1C
InChIInChI=1S/C14H21NO/c1-11-5-3-6-13(12(11)2)9-15-14(10-16)7-4-8-14/h3,5-6,15-16H,4,7-10H2,1-2H3
InChIKeyNFJCXZFTYZKHKW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.31
Rot. Bonds4

About [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol

[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol (PubChem CID 115733266) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
PubChem CID115733266
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
SMILESCc1cccc(CNC2(CO)CCC2)c1C
InChIInChI=1S/C14H21NO/c1-11-5-3-6-13(12(11)2)9-15-14(10-16)7-4-8-14/h3,5-6,15-16H,4,7-10H2,1-2H3
InChIKeyNFJCXZFTYZKHKW-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

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Related Compounds

[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673984
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol
CID 115673985
2-chloro-6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115924196
[1-[(2-cyclopropylphenyl)methylamino]cyclobutyl]methanol
CID 113263667
[1-(1H-indol-7-ylmethylamino)cyclobutyl]methanol
CID 113263647
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
[1-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)cyclobutyl]methanol
CID 115733325
[4-methyl-1-[(2-methyl-3-nitrophenyl)methylamino]cyclohexyl]methanol
CID 62552844
2-fluoro-3-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]benzonitrile
CID 113350351

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol (CID 115733266) is [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol is Cc1cccc(CNC2(CO)CCC2)c1C.
What is the InChIKey of [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol?
The InChIKey is NFJCXZFTYZKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-3-6-13(12(11)2)9-15-14(10-16)7-4-8-14/h3,5-6,15-16H,4,7-10H2,1-2H3.
What are the key properties of [1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol?
[1-[(2,3-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-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).