N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine

C18H29NO2 — CID 62382048

IUPACN-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(COCC1CCOCC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H29NO2/c1-13-9-14(2)18(15(3)10-13)17(19-4)12-21-11-16-5-7-20-8-6-16/h9-10,16-17,19H,5-8,11-12H2,1-4H3
InChIKeyUFBYOIXECDJRTA-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.32
Rot. Bonds6

About N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine

N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 62382048) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID62382048
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCNC(COCC1CCOCC1)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H29NO2/c1-13-9-14(2)18(15(3)10-13)17(19-4)12-21-11-16-5-7-20-8-6-16/h9-10,16-17,19H,5-8,11-12H2,1-4H3
InChIKeyUFBYOIXECDJRTA-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine (CID 62382048) is N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine is CNC(COCC1CCOCC1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is UFBYOIXECDJRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-13-9-14(2)18(15(3)10-13)17(19-4)12-21-11-16-5-7-20-8-6-16/h9-10,16-17,19H,5-8,11-12H2,1-4H3.
What are the key properties of N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 291.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxan-4-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 62382048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).