2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine

C17H21NO2 — CID 60906080

IUPAC2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(OCc2ccc(C)cc2)c(CCN)c1
InChIInChI=1S/C17H21NO2/c1-13-3-5-14(6-4-13)12-20-17-8-7-16(19-2)11-15(17)9-10-18/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyRYLXMKQKYMHKCU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds6

About 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine

2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 60906080) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID60906080
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
SMILESCOc1ccc(OCc2ccc(C)cc2)c(CCN)c1
InChIInChI=1S/C17H21NO2/c1-13-3-5-14(6-4-13)12-20-17-8-7-16(19-2)11-15(17)9-10-18/h3-8,11H,9-10,12,18H2,1-2H3
InChIKeyRYLXMKQKYMHKCU-UHFFFAOYSA-N
XLogP3.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
2-[5-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935989
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
2-[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]ethanamine
CID 54931143
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
2-[2-(2-aminoethyl)-4-methoxyphenoxy]acetonitrile
CID 60905751
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
2-[5-fluoro-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 107700182
2-[2-(cyclopentylmethoxy)-5-methoxyphenyl]ethanamine
CID 61343767
[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]methanamine
CID 61481790
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine (CID 60906080) is 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine is COc1ccc(OCc2ccc(C)cc2)c(CCN)c1.
What is the InChIKey of 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is RYLXMKQKYMHKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-3-5-14(6-4-13)12-20-17-8-7-16(19-2)11-15(17)9-10-18/h3-8,11H,9-10,12,18H2,1-2H3.
What are the key properties of 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine?
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 60906080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).