2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine

C18H29NO2 — CID 82765183

IUPAC2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc(COC)c2)CCO1
InChIInChI=1S/C18H29NO2/c1-4-18(5-2)12-17(9-10-21-18)19-13-15-7-6-8-16(11-15)14-20-3/h6-8,11,17,19H,4-5,9-10,12-14H2,1-3H3
InChIKeyQLPHICRXJAYKDQ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.66
Rot. Bonds7

About 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine

2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine (PubChem CID 82765183) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
PubChem CID82765183
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine
SMILESCCC1(CC)CC(NCc2cccc(COC)c2)CCO1
InChIInChI=1S/C18H29NO2/c1-4-18(5-2)12-17(9-10-21-18)19-13-15-7-6-8-16(11-15)14-20-3/h6-8,11,17,19H,4-5,9-10,12-14H2,1-3H3
InChIKeyQLPHICRXJAYKDQ-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.66
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-[[3-(methoxymethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998862
N-[[3-(methoxymethyl)phenyl]methyl]cyclooctanamine
CID 54896500
N-[[3-(methoxymethyl)phenyl]methyl]cyclohexanamine
CID 54896835
N-[(2,3-dimethylphenyl)methyl]-2,2-diethyloxan-4-amine
CID 82760875
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839
3-methoxy-N-[[3-(methoxymethyl)phenyl]methyl]cyclobutan-1-amine
CID 104587859
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
2,2-diethyl-N-[(2,4,5-trifluorophenyl)methyl]oxan-4-amine
CID 103868574
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
CID 82765208
N-[[3-(methoxymethyl)phenyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754469
N-[(2-chloro-5-fluorophenyl)methyl]-2,2-diethyloxan-4-amine
CID 102615898

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine?
The IUPAC name of 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine (CID 82765183) is 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine.
What is the SMILES notation for 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine?
The canonical SMILES for 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine is CCC1(CC)CC(NCc2cccc(COC)c2)CCO1.
What is the InChIKey of 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine?
The InChIKey is QLPHICRXJAYKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-18(5-2)12-17(9-10-21-18)19-13-15-7-6-8-16(11-15)14-20-3/h6-8,11,17,19H,4-5,9-10,12-14H2,1-3H3.
What are the key properties of 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine?
2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine has a molecular weight of 291.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 82765183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).