1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

C17H27NO2 — CID 116764773

IUPAC1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-12-10-14(3)15(11-13(12)2)16(18-4)17(19-5)6-8-20-9-7-17/h10-11,16,18H,6-9H2,1-5H3
InChIKeyKZMRIUODCVGMPN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 116764773) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID116764773
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)C1(OC)CCOCC1
InChIInChI=1S/C17H27NO2/c1-12-10-14(3)15(11-13(12)2)16(18-4)17(19-5)6-8-20-9-7-17/h10-11,16,18H,6-9H2,1-5H3
InChIKeyKZMRIUODCVGMPN-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
1-(4-fluoro-2-methylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 116764677
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 116714296
1-(2-methoxy-4,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 106680980
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116764616
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
1-(4-ethoxyoxan-4-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 116765719
1-(2,3-dimethylphenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765595
2-(3,5-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764669
1-(4-methoxyoxan-4-yl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 116764818
2-(2,6-dimethylphenyl)-1-(4-methoxyoxan-4-yl)-N-methylethanamine
CID 116764722

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (CID 116764773) is 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(C)c(C)cc1C)C1(OC)CCOCC1.
What is the InChIKey of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is KZMRIUODCVGMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12-10-14(3)15(11-13(12)2)16(18-4)17(19-5)6-8-20-9-7-17/h10-11,16,18H,6-9H2,1-5H3.
What are the key properties of 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-4-yl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 116764773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).