2-ethyl-N-phenylmethoxyoxan-4-amine

C14H21NO2 — CID 82708858

IUPAC2-ethyl-N-phenylmethoxyoxan-4-amine
SMILESCCC1CC(NOCc2ccccc2)CCO1
InChIInChI=1S/C14H21NO2/c1-2-14-10-13(8-9-16-14)15-17-11-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyLRDTXGNCTJEPHH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.67
Rot. Bonds5

About 2-ethyl-N-phenylmethoxyoxan-4-amine

2-ethyl-N-phenylmethoxyoxan-4-amine (PubChem CID 82708858) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-ethyl-N-phenylmethoxyoxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-phenylmethoxyoxan-4-amine
PubChem CID82708858
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-ethyl-N-phenylmethoxyoxan-4-amine
SMILESCCC1CC(NOCc2ccccc2)CCO1
InChIInChI=1S/C14H21NO2/c1-2-14-10-13(8-9-16-14)15-17-11-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3
InChIKeyLRDTXGNCTJEPHH-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-phenylmethoxycyclohexan-1-amine
CID 64974323
N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine
CID 114008937
3,5-dimethyl-N-phenylmethoxycyclohexan-1-amine
CID 64974306
N-phenylmethoxy-5-oxaspiro[3.5]nonan-8-amine
CID 79903838
2-phenylmethoxyoxetane
CID 23030739
1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine
CID 3839523
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391
1-methyl-N-phenylmethoxypiperidin-3-amine
CID 82710116
N'-benzyl-N'-(2-ethyloxan-4-yl)propane-1,3-diamine
CID 107364877
1-butyl-6-ethyl-N-phenylmethoxypiperidin-3-amine
CID 174919829
cis-(1S,2R)-1-N,2-N-bis(phenylmethoxy)cyclohexane-1,2-diamine;dihydrochloride
CID 131665573
N-[2-(2-phenylethyl)oxan-4-yl]acetamide
CID 102519747

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-phenylmethoxyoxan-4-amine?
The IUPAC name of 2-ethyl-N-phenylmethoxyoxan-4-amine (CID 82708858) is 2-ethyl-N-phenylmethoxyoxan-4-amine.
What is the SMILES notation for 2-ethyl-N-phenylmethoxyoxan-4-amine?
The canonical SMILES for 2-ethyl-N-phenylmethoxyoxan-4-amine is CCC1CC(NOCc2ccccc2)CCO1.
What is the InChIKey of 2-ethyl-N-phenylmethoxyoxan-4-amine?
The InChIKey is LRDTXGNCTJEPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-14-10-13(8-9-16-14)15-17-11-12-6-4-3-5-7-12/h3-7,13-15H,2,8-11H2,1H3.
What are the key properties of 2-ethyl-N-phenylmethoxyoxan-4-amine?
2-ethyl-N-phenylmethoxyoxan-4-amine has a molecular weight of 235.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-phenylmethoxyoxan-4-amine is sourced from PubChem (CID 82708858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).