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

C15H23NO — CID 54983316

IUPAC3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1cccc(CNC2CCCC(O)C2)c1C
InChIInChI=1S/C15H23NO/c1-11-5-3-6-13(12(11)2)10-16-14-7-4-8-15(17)9-14/h3,5-6,14-17H,4,7-10H2,1-2H3
InChIKeyUPCFDJGMQBNOKP-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.70
Rot. Bonds3

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

3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 54983316) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
PubChem CID54983316
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1cccc(CNC2CCCC(O)C2)c1C
InChIInChI=1S/C15H23NO/c1-11-5-3-6-13(12(11)2)10-16-14-7-4-8-15(17)9-14/h3,5-6,14-17H,4,7-10H2,1-2H3
InChIKeyUPCFDJGMQBNOKP-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
2-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 55063844
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 155506980
3-(2,3-dihydro-1H-indol-7-ylmethylamino)cyclohexan-1-ol
CID 80648400
3-[[(2,3-dimethylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270925
3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol
CID 55080709
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]cyclohexan-1-ol
CID 83170359
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
N-[(3-chloro-2-methylphenyl)methyl]cyclohexanamine
CID 107096673
N-[(2-ethoxy-3-methylphenyl)methyl]cyclopentanamine
CID 97179093

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol (CID 54983316) is 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol is Cc1cccc(CNC2CCCC(O)C2)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is UPCFDJGMQBNOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-3-6-13(12(11)2)10-16-14-7-4-8-15(17)9-14/h3,5-6,14-17H,4,7-10H2,1-2H3.
What are the key properties of 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol?
3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 54983316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).