4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol

C17H27NO3 — CID 60957872

IUPAC4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCC1CCC(NCc2cc(OC)c(O)c(OC)c2)CC1
InChIInChI=1S/C17H27NO3/c1-4-12-5-7-14(8-6-12)18-11-13-9-15(20-2)17(19)16(10-13)21-3/h9-10,12,14,18-19H,4-8,11H2,1-3H3
InChIKeyLUICSHYGUMXSPA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.47
Rot. Bonds6

About 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol

4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol (PubChem CID 60957872) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
PubChem CID60957872
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol
SMILESCCC1CCC(NCc2cc(OC)c(O)c(OC)c2)CC1
InChIInChI=1S/C17H27NO3/c1-4-12-5-7-14(8-6-12)18-11-13-9-15(20-2)17(19)16(10-13)21-3/h9-10,12,14,18-19H,4-8,11H2,1-3H3
InChIKeyLUICSHYGUMXSPA-UHFFFAOYSA-N
XLogP3.47
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(cyclohexylamino)methyl]-2,6-dimethoxyphenol
CID 28609983
2-bromo-6-methoxy-4-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 63455694
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
4-[[(1,1-dioxothian-4-yl)amino]methyl]-2,6-dimethoxyphenol
CID 43614860
4-ethyl-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]cyclohexan-1-amine
CID 115584764
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
2,6-dimethoxy-4-[(thiolan-3-ylamino)methyl]phenol
CID 113260995
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
4-N-[(3,4,5-trimethoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62312789
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453715

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol (CID 60957872) is 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol is CCC1CCC(NCc2cc(OC)c(O)c(OC)c2)CC1.
What is the InChIKey of 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol?
The InChIKey is LUICSHYGUMXSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-12-5-7-14(8-6-12)18-11-13-9-15(20-2)17(19)16(10-13)21-3/h9-10,12,14,18-19H,4-8,11H2,1-3H3.
What are the key properties of 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol?
4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylcyclohexyl)amino]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 60957872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).