[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine

C17H21NO2 — CID 106786175

IUPAC[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(COc2ccc(C)c(C)c2)ccc1CN
InChIInChI=1S/C17H21NO2/c1-12-4-7-16(8-13(12)2)20-11-14-5-6-15(10-18)17(9-14)19-3/h4-9H,10-11,18H2,1-3H3
InChIKeyRWHYZNNRTSKHQK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.35
Rot. Bonds5

About [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine

[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine (PubChem CID 106786175) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
PubChem CID106786175
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(COc2ccc(C)c(C)c2)ccc1CN
InChIInChI=1S/C17H21NO2/c1-12-4-7-16(8-13(12)2)20-11-14-5-6-15(10-18)17(9-14)19-3/h4-9H,10-11,18H2,1-3H3
InChIKeyRWHYZNNRTSKHQK-UHFFFAOYSA-N
XLogP3.35
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
[3-[(3,4-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 103566148
[2-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 69143790
4-[(3,4-dimethoxyphenyl)methoxy]-1-fluoro-2-methylbenzene
CID 81421870
1-bromo-4-[(3,4-dimethoxyphenyl)methoxy]-2-methylbenzene
CID 83134055
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
[4-(fluoromethoxy)-2-methoxyphenyl]methanamine;hydrochloride
CID 142687563

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine (CID 106786175) is [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine is COc1cc(COc2ccc(C)c(C)c2)ccc1CN.
What is the InChIKey of [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The InChIKey is RWHYZNNRTSKHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12-4-7-16(8-13(12)2)20-11-14-5-6-15(10-18)17(9-14)19-3/h4-9H,10-11,18H2,1-3H3.
What are the key properties of [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine?
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106786175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).