1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

C15H23NO2 — CID 63935050

IUPAC1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCCOc1cccc(C(NC)C2CCOCC2)c1
InChIInChI=1S/C15H23NO2/c1-3-18-14-6-4-5-13(11-14)15(16-2)12-7-9-17-10-8-12/h4-6,11-12,15-16H,3,7-10H2,1-2H3
InChIKeySSTUNTCGBVXXHN-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.77
Rot. Bonds5

About 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 63935050) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID63935050
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCCOc1cccc(C(NC)C2CCOCC2)c1
InChIInChI=1S/C15H23NO2/c1-3-18-14-6-4-5-13(11-14)15(16-2)12-7-9-17-10-8-12/h4-6,11-12,15-16H,3,7-10H2,1-2H3
InChIKeySSTUNTCGBVXXHN-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
N-methyl-1-(oxolan-3-yl)-1-(3-propoxyphenyl)methanamine
CID 115856531
1-(7-bicyclo[4.1.0]heptanyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105022201
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
1-(3-iodophenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115855997
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 79732092
1-(5-bromo-2-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62905298
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173171
1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 63935050) is 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is CCOc1cccc(C(NC)C2CCOCC2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is SSTUNTCGBVXXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-18-14-6-4-5-13(11-14)15(16-2)12-7-9-17-10-8-12/h4-6,11-12,15-16H,3,7-10H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 249.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 63935050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).