2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine

C18H23NO2 — CID 115464699

IUPAC2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1COc1ccc(C)cc1OC
InChIInChI=1S/C18H23NO2/c1-14-8-9-17(18(12-14)20-3)21-13-16-7-5-4-6-15(16)10-11-19-2/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyIAVJPEKOHFVJID-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds7

About 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine

2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine (PubChem CID 115464699) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine
PubChem CID115464699
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine
SMILESCNCCc1ccccc1COc1ccc(C)cc1OC
InChIInChI=1S/C18H23NO2/c1-14-8-9-17(18(12-14)20-3)21-13-16-7-5-4-6-15(16)10-11-19-2/h4-9,12,19H,10-11,13H2,1-3H3
InChIKeyIAVJPEKOHFVJID-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-bromo-4-fluorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464733
2-[2-[(2-bromo-4-chlorophenoxy)methyl]phenyl]-N-methylethanamine
CID 115464894
1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729265
1-[3-[(2-methoxy-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55077971
N'-hydroxy-2-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24704473
2-(2-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17294152
2-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 83878523
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
(1R)-1-[2-[(2-methoxyphenyl)methoxy]-5-methylphenyl]ethanol
CID 63366482
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine (CID 115464699) is 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine is CNCCc1ccccc1COc1ccc(C)cc1OC.
What is the InChIKey of 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine?
The InChIKey is IAVJPEKOHFVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-14-8-9-17(18(12-14)20-3)21-13-16-7-5-4-6-15(16)10-11-19-2/h4-9,12,19H,10-11,13H2,1-3H3.
What are the key properties of 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine?
2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-4-methylphenoxy)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 115464699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).