2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol

C16H25NO2 — CID 64742005

IUPAC2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
SMILESCCC1CCCC(NCc2cccc(OC)c2O)C1
InChIInChI=1S/C16H25NO2/c1-3-12-6-4-8-14(10-12)17-11-13-7-5-9-15(19-2)16(13)18/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3
InChIKeyVICKUMNWUZWDLK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.46
Rot. Bonds5

About 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol

2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol (PubChem CID 64742005) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
PubChem CID64742005
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol
SMILESCCC1CCCC(NCc2cccc(OC)c2O)C1
InChIInChI=1S/C16H25NO2/c1-3-12-6-4-8-14(10-12)17-11-13-7-5-9-15(19-2)16(13)18/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3
InChIKeyVICKUMNWUZWDLK-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102795067
3-ethyl-N-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64500368
methyl 2-[[(3-ethylcyclohexyl)amino]methyl]benzoate
CID 64741423
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
2-[[(1,1-dioxothian-4-yl)amino]methyl]-6-methoxyphenol
CID 43615074
4-[(2-hydroxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 65054526
2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-6-methoxyphenol
CID 43190971
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64743158
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
CID 103291935
2-chloro-6-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 112554031

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol (CID 64742005) is 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol is CCC1CCCC(NCc2cccc(OC)c2O)C1.
What is the InChIKey of 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol?
The InChIKey is VICKUMNWUZWDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-12-6-4-8-14(10-12)17-11-13-7-5-9-15(19-2)16(13)18/h5,7,9,12,14,17-18H,3-4,6,8,10-11H2,1-2H3.
What are the key properties of 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol?
2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol has a molecular weight of 263.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-ethylcyclohexyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 64742005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).