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

C14H21NO3 — CID 115005118

IUPAC2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(OC)c(OC2CCOC2)c1
InChIInChI=1S/C14H21NO3/c1-15-7-5-11-3-4-13(16-2)14(9-11)18-12-6-8-17-10-12/h3-4,9,12,15H,5-8,10H2,1-2H3
InChIKeyOTACJKBBBHGFIS-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds6

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

2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine (PubChem CID 115005118) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
PubChem CID115005118
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(OC)c(OC2CCOC2)c1
InChIInChI=1S/C14H21NO3/c1-15-7-5-11-3-4-13(16-2)14(9-11)18-12-6-8-17-10-12/h3-4,9,12,15H,5-8,10H2,1-2H3
InChIKeyOTACJKBBBHGFIS-UHFFFAOYSA-N
XLogP1.62
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
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-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
N-[[4-methoxy-3-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 115005268
2-[3-methoxy-4-(thietan-3-yloxy)phenyl]-N-methylethanamine
CID 115005291
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986
1-[3-ethoxy-4-(oxolan-3-yloxy)phenyl]-N-methylmethanamine
CID 63559336
N-[2-(3,4-dimethoxyphenyl)ethyl]oxan-4-amine
CID 43608339
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
bis[4-methoxy-3-(oxolan-3-yloxy)phenyl]methanone
CID 57156728

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine (CID 115005118) is 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine is CNCCc1ccc(OC)c(OC2CCOC2)c1.
What is the InChIKey of 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
The InChIKey is OTACJKBBBHGFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-7-5-11-3-4-13(16-2)14(9-11)18-12-6-8-17-10-12/h3-4,9,12,15H,5-8,10H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine?
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine has a molecular weight of 251.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 115005118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).