1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

C17H27NO3 — CID 106680980

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(C)cc1OC)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO3/c1-12-10-13(2)15(14(11-12)19-4)16(18-3)17(20-5)6-8-21-9-7-17/h10-11,16,18H,6-9H2,1-5H3
InChIKeyRUQHMOLSOXRYNV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.77
Rot. Bonds5

About 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine

1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (PubChem CID 106680980) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
PubChem CID106680980
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
SMILESCNC(c1c(C)cc(C)cc1OC)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO3/c1-12-10-13(2)15(14(11-12)19-4)16(18-3)17(20-5)6-8-21-9-7-17/h10-11,16,18H,6-9H2,1-5H3
InChIKeyRUQHMOLSOXRYNV-UHFFFAOYSA-N
XLogP2.77
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116764773
N-[(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680926
(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680981
1-(1-ethylcyclopentyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682086
[1-[(2-methoxy-4,6-dimethylphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959056
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 116764677
(1-methoxycyclobutyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680299
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616
[(2,6-dimethoxyphenyl)-(4-methoxyoxan-4-yl)methyl]hydrazine
CID 105276635
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764669
N-[(2-methoxy-4,6-dimethylphenyl)-(1-methylcyclopropyl)methyl]ethanamine
CID 106680802

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine (CID 106680980) is 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is CNC(c1c(C)cc(C)cc1OC)C1(OC)CCOCC1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
The InChIKey is RUQHMOLSOXRYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12-10-13(2)15(14(11-12)19-4)16(18-3)17(20-5)6-8-21-9-7-17/h10-11,16,18H,6-9H2,1-5H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine?
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine has a molecular weight of 293.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 106680980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).