2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine

C18H29NO2 — CID 82765202

IUPAC2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2cc(C)ccc2OC)CCO1
InChIInChI=1S/C18H29NO2/c1-5-18(6-2)12-16(9-10-21-18)19-13-15-11-14(3)7-8-17(15)20-4/h7-8,11,16,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyMAOGDCBMHURYGF-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.83
Rot. Bonds6

About 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine

2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine (PubChem CID 82765202) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
PubChem CID82765202
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2cc(C)ccc2OC)CCO1
InChIInChI=1S/C18H29NO2/c1-5-18(6-2)12-16(9-10-21-18)19-13-15-11-14(3)7-8-17(15)20-4/h7-8,11,16,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyMAOGDCBMHURYGF-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2,2-diethyloxan-4-yl)amino]methyl]-2-methoxyphenol
CID 82765196
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
4-[(2-methoxy-5-methylphenyl)methylamino]cyclohexan-1-ol
CID 43406651
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
CID 82765183
N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61223569
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
CID 82765208
N-[(2,4-dimethylphenyl)methyl]-2,2-dimethyloxan-4-amine
CID 115563698
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine (CID 82765202) is 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine is CCC1(CC)CC(NCc2cc(C)ccc2OC)CCO1.
What is the InChIKey of 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine?
The InChIKey is MAOGDCBMHURYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-5-18(6-2)12-16(9-10-21-18)19-13-15-11-14(3)7-8-17(15)20-4/h7-8,11,16,19H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine?
2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[(2-methoxy-5-methylphenyl)methyl]oxan-4-amine is sourced from PubChem (CID 82765202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).