2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

C17H27NO2 — CID 116764669

IUPAC2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-13-9-14(2)11-15(10-13)12-16(18-3)17(19-4)5-7-20-8-6-17/h9-11,16,18H,5-8,12H2,1-4H3
InChIKeyYPNLOHKTAWNCRS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.63
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine

2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (PubChem CID 116764669) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
PubChem CID116764669
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-13-9-14(2)11-15(10-13)12-16(18-3)17(19-4)5-7-20-8-6-17/h9-11,16,18H,5-8,12H2,1-4H3
InChIKeyYPNLOHKTAWNCRS-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764652
2-(3-bromophenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764666
2-(2,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764722
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
1-(1-methoxycycloheptyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116770183
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764841
1-(4-methoxyoxan-4-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530792
2-(3-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765623

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine (CID 116764669) is 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is CNC(Cc1cc(C)cc(C)c1)C1(OC)CCOCC1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
The InChIKey is YPNLOHKTAWNCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-9-14(2)11-15(10-13)12-16(18-3)17(19-4)5-7-20-8-6-17/h9-11,16,18H,5-8,12H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine?
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine is sourced from PubChem (CID 116764669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).