2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol

C13H17Cl2NO — CID 60612644

IUPAC2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-5-3-4-9(13(10)15)8-16-11-6-1-2-7-12(11)17/h3-5,11-12,16-17H,1-2,6-8H2
InChIKeyPAKCGOLXPAPNLI-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.39
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol

2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol (PubChem CID 60612644) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
PubChem CID60612644
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2NO/c14-10-5-3-4-9(13(10)15)8-16-11-6-1-2-7-12(11)17/h3-5,11-12,16-17H,1-2,6-8H2
InChIKeyPAKCGOLXPAPNLI-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-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651
N-[(2,3-dichlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43078350
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844
2-[[[(1R,2R)-2-hydroxycyclopentyl]amino]methyl]phenol
CID 102734194
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
2-[[[(2R)-2-[(2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol
CID 138615280
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol (CID 60612644) is 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol?
The InChIKey is PAKCGOLXPAPNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-10-5-3-4-9(13(10)15)8-16-11-6-1-2-7-12(11)17/h3-5,11-12,16-17H,1-2,6-8H2.
What are the key properties of 2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol?
2-[(2,3-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-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 60612644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).