[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol

C13H19NO — CID 115733245

IUPAC[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
SMILESCc1ccccc1CNC1(CO)CCC1
InChIInChI=1S/C13H19NO/c1-11-5-2-3-6-12(11)9-14-13(10-15)7-4-8-13/h2-3,5-6,14-15H,4,7-10H2,1H3
InChIKeyVHTCUSVNUXEQPL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.00
Rot. Bonds4

About [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol

[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol (PubChem CID 115733245) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
PubChem CID115733245
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
SMILESCc1ccccc1CNC1(CO)CCC1
InChIInChI=1S/C13H19NO/c1-11-5-2-3-6-12(11)9-14-13(10-15)7-4-8-13/h2-3,5-6,14-15H,4,7-10H2,1H3
InChIKeyVHTCUSVNUXEQPL-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673984
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol
CID 115673985
[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733266
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
2-chloro-6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115924196
[1-[(3,4-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733318
[1-[(2-cyclopropylphenyl)methylamino]cyclohexyl]methanol
CID 79984076
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624
[1-[(2-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62524980
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
[1-[(2-methyl-3-nitrophenyl)methylamino]cyclopentyl]methanol
CID 62517939
[1-(1H-indol-7-ylmethylamino)cyclobutyl]methanol
CID 113263647

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol?
The IUPAC name of [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol (CID 115733245) is [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol is Cc1ccccc1CNC1(CO)CCC1.
What is the InChIKey of [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol?
The InChIKey is VHTCUSVNUXEQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-5-2-3-6-12(11)9-14-13(10-15)7-4-8-13/h2-3,5-6,14-15H,4,7-10H2,1H3.
What are the key properties of [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol?
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol has a molecular weight of 205.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylphenyl)methylamino]cyclobutyl]methanol is sourced from PubChem (CID 115733245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).