2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol

C16H25NO2 — CID 79861822

IUPAC2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNC2CCCCC2(C)C)c(O)c1
InChIInChI=1S/C16H25NO2/c1-16(2)9-5-4-6-15(16)17-11-12-7-8-13(19-3)10-14(12)18/h7-8,10,15,17-18H,4-6,9,11H2,1-3H3
InChIKeyCJVFYJGTWXOSDQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds4

About 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol

2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol (PubChem CID 79861822) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
PubChem CID79861822
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
SMILESCOc1ccc(CNC2CCCCC2(C)C)c(O)c1
InChIInChI=1S/C16H25NO2/c1-16(2)9-5-4-6-15(16)17-11-12-7-8-13(19-3)10-14(12)18/h7-8,10,15,17-18H,4-6,9,11H2,1-3H3
InChIKeyCJVFYJGTWXOSDQ-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(cyclobutylamino)methyl]-5-methoxyphenol
CID 62414161
N-(2,2-dimethylcyclohexyl)-2-hydroxy-4-methoxybenzamide
CID 79877931
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835366
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712
5-methoxy-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol
CID 61263630
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79860027
5-methoxy-2-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 61264001
N-[(2-chloro-4-methylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 106862872
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861903
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol?
The IUPAC name of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol (CID 79861822) is 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol?
The canonical SMILES for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol is COc1ccc(CNC2CCCCC2(C)C)c(O)c1.
What is the InChIKey of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol?
The InChIKey is CJVFYJGTWXOSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2)9-5-4-6-15(16)17-11-12-7-8-13(19-3)10-14(12)18/h7-8,10,15,17-18H,4-6,9,11H2,1-3H3.
What are the key properties of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol?
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol is sourced from PubChem (CID 79861822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).