2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol

C13H17Cl2NO — CID 55063698

IUPAC2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-4-3-5-11(15)9(10)8-16-12-6-1-2-7-13(12)17/h3-5,12-13,16-17H,1-2,6-8H2
InChIKeyZABWGBLCKIRTFK-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol

2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol (PubChem CID 55063698) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
PubChem CID55063698
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-4-3-5-11(15)9(10)8-16-12-6-1-2-7-13(12)17/h3-5,12-13,16-17H,1-2,6-8H2
InChIKeyZABWGBLCKIRTFK-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
2-chloro-N-[(2,6-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65024511
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
N-[(2,6-dichlorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 63277735
2-(2,6-dichlorophenyl)-N-(2-hydroxycyclohexyl)acetamide
CID 55063701
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol (CID 55063698) is 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol?
The InChIKey is ZABWGBLCKIRTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-4-3-5-11(15)9(10)8-16-12-6-1-2-7-13(12)17/h3-5,12-13,16-17H,1-2,6-8H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol?
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol has a molecular weight of 274.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 55063698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).