N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine

C17H27NO2 — CID 106682226

IUPACN-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1OC)C1CCCCO1
InChIInChI=1S/C17H27NO2/c1-5-18-17(14-8-6-7-9-20-14)16-13(3)10-12(2)11-15(16)19-4/h10-11,14,17-18H,5-9H2,1-4H3
InChIKeyPZPLINSCUMZRMH-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.53
Rot. Bonds5

About N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine

N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine (PubChem CID 106682226) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
PubChem CID106682226
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
SMILESCCNC(c1c(C)cc(C)cc1OC)C1CCCCO1
InChIInChI=1S/C17H27NO2/c1-5-18-17(14-8-6-7-9-20-14)16-13(3)10-12(2)11-15(16)19-4/h10-11,14,17-18H,5-9H2,1-4H3
InChIKeyPZPLINSCUMZRMH-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 106682477
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62213881
N-[(2-bromo-4,5-dimethoxyphenyl)-(oxan-2-yl)methyl]ethanamine
CID 62213531
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
N-[2-bicyclo[2.2.1]heptanyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680892
N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
[cyclopentyl-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682698
N-[(2-methoxy-3,4-dimethylphenyl)-(oxolan-2-yl)methyl]ethanamine
CID 103433591
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-morpholin-2-ylmethanamine
CID 116956467
1-cyclopropyl-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106680447

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine (CID 106682226) is N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine is CCNC(c1c(C)cc(C)cc1OC)C1CCCCO1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine?
The InChIKey is PZPLINSCUMZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-18-17(14-8-6-7-9-20-14)16-13(3)10-12(2)11-15(16)19-4/h10-11,14,17-18H,5-9H2,1-4H3.
What are the key properties of N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine?
N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine is sourced from PubChem (CID 106682226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).