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

C14H21NO — CID 115673985

IUPAC2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol
SMILESCc1ccccc1CNC1(CCO)CCC1
InChIInChI=1S/C14H21NO/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
InChIKeyZHOIZULRPOZUDZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.39
Rot. Bonds5

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

2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol (PubChem CID 115673985) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol
PubChem CID115673985
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol
SMILESCc1ccccc1CNC1(CCO)CCC1
InChIInChI=1S/C14H21NO/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
InChIKeyZHOIZULRPOZUDZ-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol;hydrochloride
CID 115673984
[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
2-[1-(pyridin-3-ylmethylamino)cyclobutyl]ethanol
CID 115673926
2-[1-[(5-chlorofuran-2-yl)methylamino]cyclobutyl]ethanol
CID 115674021
N-[(2-methylphenyl)methyl]ethanamine;hydrochloride
CID 17293898
2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 60912930
N,N-dimethyl-1-[[(2-methylphenyl)methylamino]methyl]cyclopentan-1-amine
CID 78912363
[1-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]cyclohexyl]methanol
CID 79640204
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol (CID 115673985) is 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol is Cc1ccccc1CNC1(CCO)CCC1.
What is the InChIKey of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol?
The InChIKey is ZHOIZULRPOZUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/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.
What are the key properties of 2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol?
2-[1-[(2-methylphenyl)methylamino]cyclobutyl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.39, 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 is sourced from PubChem (CID 115673985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).