N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine

C15H23NO2 — CID 103897453

IUPACN-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
SMILESCCOc1ccc(CNC2(C)CCCOC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-18-14-7-5-13(6-8-14)11-16-15(2)9-4-10-17-12-15/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyFEDXKYFQHJIJDR-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.74
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine

N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine (PubChem CID 103897453) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
PubChem CID103897453
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine
SMILESCCOc1ccc(CNC2(C)CCCOC2)cc1
InChIInChI=1S/C15H23NO2/c1-3-18-14-7-5-13(6-8-14)11-16-15(2)9-4-10-17-12-15/h5-8,16H,3-4,9-12H2,1-2H3
InChIKeyFEDXKYFQHJIJDR-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113348018
N-[[4-(methoxymethyl)phenyl]methyl]-3-methyloxolan-3-amine
CID 113338521
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
N-[[4-(dimethylamino)phenyl]methyl]-3-methyloxolan-3-amine
CID 115768832
3-methyl-N-[(4-phenylphenyl)methyl]oxolan-3-amine
CID 115768836
1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
CID 63456305
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
N-[(5-bromo-3-pyridinyl)methyl]-3-methyloxan-3-amine
CID 104857038
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768773
N-[(6-methoxy-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 103527612
N-[(2,4-difluorophenyl)methyl]-3-methyloxan-3-amine
CID 113347998
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methyloxan-3-amine
CID 113354519

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine (CID 103897453) is N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine is CCOc1ccc(CNC2(C)CCCOC2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine?
The InChIKey is FEDXKYFQHJIJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-14-7-5-13(6-8-14)11-16-15(2)9-4-10-17-12-15/h5-8,16H,3-4,9-12H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine?
N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine has a molecular weight of 249.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-3-methyloxan-3-amine is sourced from PubChem (CID 103897453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).