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

C13H19Cl2NO — CID 115673948

IUPAC2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride
SMILESCl.OCCC1(NCc2ccccc2Cl)CCC1
InChIInChI=1S/C13H18ClNO.ClH/c14-12-5-2-1-4-11(12)10-15-13(8-9-16)6-3-7-13;/h1-2,4-5,15-16H,3,6-10H2;1H
InChIKeyXSNNLUYRUJMRPI-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.16
Rot. Bonds5

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

2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride (PubChem CID 115673948) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride
PubChem CID115673948
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride
SMILESCl.OCCC1(NCc2ccccc2Cl)CCC1
InChIInChI=1S/C13H18ClNO.ClH/c14-12-5-2-1-4-11(12)10-15-13(8-9-16)6-3-7-13;/h1-2,4-5,15-16H,3,6-10H2;1H
InChIKeyXSNNLUYRUJMRPI-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.16
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
2-chloro-6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115924196
[1-[(2-methylphenyl)methylamino]cyclobutyl]methanol
CID 115733245
2-[1-[(5-chlorofuran-2-yl)methylamino]cyclobutyl]ethanol
CID 115674021
[1-[(2,6-dichlorophenyl)methylamino]cyclohexyl]methanol
CID 62520254
2-[1-[(4-bromophenyl)methylamino]cyclobutyl]ethanol
CID 115673951
1-(2-chlorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680463
4-[(2-chlorophenyl)methylamino]oxane-4-carboxylic acid;hydrochloride
CID 71432484
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
[1-[(2-cyclopropylphenyl)methylamino]cyclobutyl]methanol
CID 113263667
[1-[(2-fluorophenyl)methylamino]cyclohexyl]methanol
CID 55082363

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
The IUPAC name of 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride (CID 115673948) is 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride is Cl.OCCC1(NCc2ccccc2Cl)CCC1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
The InChIKey is XSNNLUYRUJMRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c14-12-5-2-1-4-11(12)10-15-13(8-9-16)6-3-7-13;/h1-2,4-5,15-16H,3,6-10H2;1H.
What are the key properties of 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride?
2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride has a molecular weight of 276.21 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methylamino]cyclobutyl]ethanol;hydrochloride is sourced from PubChem (CID 115673948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).