2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine

C15H23NO3 — CID 117417850

IUPAC2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(OC2CCCOC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-16-8-7-12-5-6-14(15(10-12)17-2)19-13-4-3-9-18-11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyQJWSDHZEBBJHLR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.01
Rot. Bonds6

About 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine

2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine (PubChem CID 117417850) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
PubChem CID117417850
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(OC2CCCOC2)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-16-8-7-12-5-6-14(15(10-12)17-2)19-13-4-3-9-18-11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyQJWSDHZEBBJHLR-UHFFFAOYSA-N
XLogP2.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
2-[3-methoxy-4-(thietan-3-yloxy)phenyl]-N-methylethanamine
CID 115005291
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
1-[4-methoxy-3-(oxan-3-yloxy)phenyl]propan-2-one
CID 117415306
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
3-[5-(isocyanatomethyl)-2-methoxyphenoxy]oxane
CID 117412381
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
(1S)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanamine
CID 107134434

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine (CID 117417850) is 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine is CNCCc1ccc(OC2CCCOC2)c(OC)c1.
What is the InChIKey of 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine?
The InChIKey is QJWSDHZEBBJHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-16-8-7-12-5-6-14(15(10-12)17-2)19-13-4-3-9-18-11-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine?
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 117417850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).