2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol

C17H27NO2 — CID 79861425

IUPAC2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNC2CCCCC2(C)C)c1O
InChIInChI=1S/C17H27NO2/c1-4-20-14-9-7-8-13(16(14)19)12-18-15-10-5-6-11-17(15,2)3/h7-9,15,18-19H,4-6,10-12H2,1-3H3
InChIKeyUUMIPPRBEYCTCQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds5

About 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol

2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol (PubChem CID 79861425) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol
PubChem CID79861425
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNC2CCCCC2(C)C)c1O
InChIInChI=1S/C17H27NO2/c1-4-20-14-9-7-8-13(16(14)19)12-18-15-10-5-6-11-17(15,2)3/h7-9,15,18-19H,4-6,10-12H2,1-3H3
InChIKeyUUMIPPRBEYCTCQ-UHFFFAOYSA-N
XLogP3.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
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

N-[(2-ethoxyphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861979
2-ethoxy-6-[(thian-3-ylamino)methyl]phenol
CID 115676111
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
2,2-dimethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclopentan-1-amine
CID 79861790
N-[(2-cyclopropylphenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79984326
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-5-methoxyphenol
CID 79861822
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
3-chloro-2-[[(2,2-dimethylcyclopentyl)amino]methyl]phenol
CID 79831452
N-[[2-(methoxymethyl)phenyl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79860027
2-ethoxy-6-[[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]amino]methyl]phenol
CID 45167838
3-[[(2,2-dimethylcyclohexyl)amino]methyl]pyridine-2-carbonitrile
CID 79871903
N-[(2,6-difluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79861181

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol (CID 79861425) is 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol is CCOc1cccc(CNC2CCCCC2(C)C)c1O.
What is the InChIKey of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol?
The InChIKey is UUMIPPRBEYCTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-20-14-9-7-8-13(16(14)19)12-18-15-10-5-6-11-17(15,2)3/h7-9,15,18-19H,4-6,10-12H2,1-3H3.
What are the key properties of 2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol?
2-[[(2,2-dimethylcyclohexyl)amino]methyl]-6-ethoxyphenol has a molecular weight of 277.41 g/mol, XLogP of 3.85, 5 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]-6-ethoxyphenol is sourced from PubChem (CID 79861425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).