(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine

C15H23NO4 — CID 79759527

IUPAC(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)C2CCOC2C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-9-11(5-6-20-9)15(16)14-12(18-3)7-10(17-2)8-13(14)19-4/h7-9,11,15H,5-6,16H2,1-4H3
InChIKeyCYFQZLNECNGVSJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.14
Rot. Bonds5

About (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine

(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine (PubChem CID 79759527) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
PubChem CID79759527
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
SMILESCOc1cc(OC)c(C(N)C2CCOC2C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-9-11(5-6-20-9)15(16)14-12(18-3)7-10(17-2)8-13(14)19-4/h7-9,11,15H,5-6,16H2,1-4H3
InChIKeyCYFQZLNECNGVSJ-UHFFFAOYSA-N
XLogP2.14
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanol
CID 79763064
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 105032948
oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
CID 62905832
3-[chloro-(2,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79762632
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
N-[(3,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105013645
2-cyclopropyl-1-(2,4,6-trimethoxyphenyl)propan-1-amine
CID 83154373
(2-bromo-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79762979
(5-bromo-4-chlorothiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 80530693
(2-fluoro-4,5-dimethoxyphenyl)-(2-methyloxolan-3-yl)methanol
CID 79763153
3-[chloro-(2-fluoro-4,5-dimethoxyphenyl)methyl]-2-methyloxolane
CID 79763359

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine?
The IUPAC name of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine (CID 79759527) is (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine.
What is the SMILES notation for (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine?
The canonical SMILES for (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine is COc1cc(OC)c(C(N)C2CCOC2C)c(OC)c1.
What is the InChIKey of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine?
The InChIKey is CYFQZLNECNGVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-9-11(5-6-20-9)15(16)14-12(18-3)7-10(17-2)8-13(14)19-4/h7-9,11,15H,5-6,16H2,1-4H3.
What are the key properties of (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine?
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine has a molecular weight of 281.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine is sourced from PubChem (CID 79759527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).