3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol

C15H23NO — CID 54971817

IUPAC3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1ccc(C)c(CNC2CCCC(O)C2)c1
InChIInChI=1S/C15H23NO/c1-11-6-7-12(2)13(8-11)10-16-14-4-3-5-15(17)9-14/h6-8,14-17H,3-5,9-10H2,1-2H3
InChIKeyXAUQIGSWXFJEGJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.70
Rot. Bonds3

About 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol

3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 54971817) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
PubChem CID54971817
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
SMILESCc1ccc(C)c(CNC2CCCC(O)C2)c1
InChIInChI=1S/C15H23NO/c1-11-6-7-12(2)13(8-11)10-16-14-4-3-5-15(17)9-14/h6-8,14-17H,3-5,9-10H2,1-2H3
InChIKeyXAUQIGSWXFJEGJ-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

3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54983316
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]cyclohexan-1-ol
CID 55080709
N-[(2,5-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 54971762
3-[(2,5-difluorophenyl)methylamino]cyclohexan-1-ol
CID 43751094
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
N-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701269
N-[(2,5-dimethylphenyl)methyl]thiolan-3-amine
CID 103701631
4-bromo-2-[[[(1R,3S)-3-hydroxycyclohexyl]amino]methyl]phenol
CID 22801896
3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
N-[(2,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114544212

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol (CID 54971817) is 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol is Cc1ccc(C)c(CNC2CCCC(O)C2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is XAUQIGSWXFJEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-7-12(2)13(8-11)10-16-14-4-3-5-15(17)9-14/h6-8,14-17H,3-5,9-10H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol?
3-[(2,5-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-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 54971817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).