N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine

C15H23NO2 — CID 54861796

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
SMILESCCOCc1ccccc1CNC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-2-17-12-14-6-4-3-5-13(14)11-16-15-7-9-18-10-8-15/h3-6,15-16H,2,7-12H2,1H3
InChIKeyKJOFPFSVHVMUJL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.49
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine

N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine (PubChem CID 54861796) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
PubChem CID54861796
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine
SMILESCCOCc1ccccc1CNC1CCOCC1
InChIInChI=1S/C15H23NO2/c1-2-17-12-14-6-4-3-5-13(14)11-16-15-7-9-18-10-8-15/h3-6,15-16H,2,7-12H2,1H3
InChIKeyKJOFPFSVHVMUJL-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[[2-(ethoxymethyl)phenyl]methyl]cyclohexane-1,4-diamine
CID 79730790
N-[[2-(ethoxymethyl)phenyl]methyl]-1-ethylpiperidin-4-amine
CID 60924202
4-[[2-(ethoxymethyl)phenyl]methylamino]oxolan-3-ol
CID 54861693
N-[[2-(ethoxymethyl)phenyl]methyl]thian-3-amine
CID 62871996
N-[[2-(ethoxymethyl)phenyl]methyl]-1,1-dioxothiolan-3-amine
CID 54861845
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81300764
1-cyclopropyl-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyrrolidin-3-amine
CID 115708354
N-[[2-(ethoxymethyl)phenyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79911557
N-[[2-(ethoxymethyl)phenyl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 64762280
N-[[2-(ethoxymethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 60924538
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine (CID 54861796) is N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine is CCOCc1ccccc1CNC1CCOCC1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine?
The InChIKey is KJOFPFSVHVMUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-17-12-14-6-4-3-5-13(14)11-16-15-7-9-18-10-8-15/h3-6,15-16H,2,7-12H2,1H3.
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine?
N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine has a molecular weight of 249.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 54861796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).