2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine

C17H21NO2 — CID 20987766

IUPAC2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1cccc(C)c1
InChIInChI=1S/C17H21NO2/c1-13-4-3-5-15(10-13)12-20-16-7-6-14(8-9-18)11-17(16)19-2/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyNSJAWCBVCOANPL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.08
Rot. Bonds6

About 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine

2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 20987766) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID20987766
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1cccc(C)c1
InChIInChI=1S/C17H21NO2/c1-13-4-3-5-15(10-13)12-20-16-7-6-14(8-9-18)11-17(16)19-2/h3-7,10-11H,8-9,12,18H2,1-2H3
InChIKeyNSJAWCBVCOANPL-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-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794
1,2-dimethoxy-4-[3-(3-methylphenyl)propyl]benzene
CID 90949774
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 4722968
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine (CID 20987766) is 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine is COc1cc(CCN)ccc1OCc1cccc(C)c1.
What is the InChIKey of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is NSJAWCBVCOANPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13-4-3-5-15(10-13)12-20-16-7-6-14(8-9-18)11-17(16)19-2/h3-7,10-11H,8-9,12,18H2,1-2H3.
What are the key properties of 2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine?
2-[3-methoxy-4-[(3-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-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 20987766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).