2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride

C14H22ClNO — CID 115673984

IUPAC2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
SMILESCc1ccccc1CNC1(CCO)CCC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-12-5-2-3-6-13(12)11-15-14(9-10-16)7-4-8-14;/h2-3,5-6,15-16H,4,7-11H2,1H3;1H
InChIKeyAFBGUIVNZUWOJO-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride

2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride (PubChem CID 115673984) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
PubChem CID115673984
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
SMILESCc1ccccc1CNC1(CCO)CCC1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-12-5-2-3-6-13(12)11-15-14(9-10-16)7-4-8-14;/h2-3,5-6,15-16H,4,7-11H2,1H3;1H
InChIKeyAFBGUIVNZUWOJO-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol
CID 115673985
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673948
[1-[(2,3-dimethylphenyl)methylamino]cyclobutyl]methanol
CID 115733266
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363
2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
CID 115673926
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
CID 79640204
2-chloro-6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115924196
2-[1-[(5-chlorofuran-2-yl)methylamino]cyclobutyl]ethanol
CID 115674021
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
The IUPAC name of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride (CID 115673984) is 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride.
What is the SMILES notation for 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
The canonical SMILES for 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride is Cc1ccccc1CNC1(CCO)CCC1.Cl.
What is the InChIKey of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
The InChIKey is AFBGUIVNZUWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-12-5-2-3-6-13(12)11-15-14(9-10-16)7-4-8-14;/h2-3,5-6,15-16H,4,7-11H2,1H3;1H.
What are the key properties of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride is sourced from PubChem (CID 115673984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).