[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine

C18H23NO2 — CID 62543773

IUPAC[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(CN)c(OCc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23NO2/c1-12-7-13(2)17(14(3)8-12)11-21-18-9-16(20-4)6-5-15(18)10-19/h5-9H,10-11,19H2,1-4H3
InChIKeyJVZPVJNIILLUQW-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.66
Rot. Bonds5

About [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine

[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine (PubChem CID 62543773) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
PubChem CID62543773
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(CN)c(OCc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H23NO2/c1-12-7-13(2)17(14(3)8-12)11-21-18-9-16(20-4)6-5-15(18)10-19/h5-9H,10-11,19H2,1-4H3
InChIKeyJVZPVJNIILLUQW-UHFFFAOYSA-N
XLogP3.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
[5-fluoro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine
CID 107694762
[2-[(3,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 82918459
[2-[(2-bromo-4-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 61267594
[2-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanamine
CID 54958135
[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 61481790
[4-methoxy-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936765
[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 61268524
[4-methoxy-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methanamine
CID 22681321
(2,4-dimethoxyphenyl)methanamine;4-methoxyaniline
CID 70411207
[2-(2,4-dimethylphenyl)-4-methoxyphenyl]methanamine
CID 141455779
[2-(5-fluoro-2-methylphenoxy)-4-methoxyphenyl]methanamine
CID 102980112

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine (CID 62543773) is [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine is COc1ccc(CN)c(OCc2c(C)cc(C)cc2C)c1.
What is the InChIKey of [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine?
The InChIKey is JVZPVJNIILLUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-7-13(2)17(14(3)8-12)11-21-18-9-16(20-4)6-5-15(18)10-19/h5-9H,10-11,19H2,1-4H3.
What are the key properties of [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine?
[4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 62543773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).