5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol

C17H27NO3 — CID 82765196

IUPAC5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
SMILESCCC1(CC)CC(NCc2ccc(OC)c(O)c2)CCO1
InChIInChI=1S/C17H27NO3/c1-4-17(5-2)11-14(8-9-21-17)18-12-13-6-7-16(20-3)15(19)10-13/h6-7,10,14,18-19H,4-5,8-9,11-12H2,1-3H3
InChIKeyAEQCXPAYFQPOKM-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.23
Rot. Bonds6

About 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol

5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol (PubChem CID 82765196) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
PubChem CID82765196
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
SMILESCCC1(CC)CC(NCc2ccc(OC)c(O)c2)CCO1
InChIInChI=1S/C17H27NO3/c1-4-17(5-2)11-14(8-9-21-17)18-12-13-6-7-16(20-3)15(19)10-13/h6-7,10,14,18-19H,4-5,8-9,11-12H2,1-3H3
InChIKeyAEQCXPAYFQPOKM-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
CID 82765202
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
CID 82765183
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563685
2-methoxy-5-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 54950208
5-[[(3-ethylsulfanylcyclopentyl)amino]methyl]-2-methoxyphenol
CID 103702283
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
N-[(3-chloro-4-methoxyphenyl)methyl]thian-4-amine
CID 115653478
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
(5R,9R)-N-[(3-methoxy-4-methylphenyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 124627329
N-[(3-chloro-4-methoxyphenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965738
5-[(2-adamantylamino)methyl]-2-methoxyphenol
CID 43221925

Frequently Asked Questions

What is the IUPAC name of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol (CID 82765196) is 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol is CCC1(CC)CC(NCc2ccc(OC)c(O)c2)CCO1.
What is the InChIKey of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is AEQCXPAYFQPOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-17(5-2)11-14(8-9-21-17)18-12-13-6-7-16(20-3)15(19)10-13/h6-7,10,14,18-19H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol?
5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 82765196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).