[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine

C16H19NO3 — CID 60879812

IUPAC[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1cccc(COc2ccc(CN)cc2OC)c1
InChIInChI=1S/C16H19NO3/c1-18-14-5-3-4-13(8-14)11-20-15-7-6-12(10-17)9-16(15)19-2/h3-9H,10-11,17H2,1-2H3
InChIKeyKONCQPMCGOGHOX-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.74
Rot. Bonds6

About [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine

[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 60879812) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID60879812
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1cccc(COc2ccc(CN)cc2OC)c1
InChIInChI=1S/C16H19NO3/c1-18-14-5-3-4-13(8-14)11-20-15-7-6-12(10-17)9-16(15)19-2/h3-9H,10-11,17H2,1-2H3
InChIKeyKONCQPMCGOGHOX-UHFFFAOYSA-N
XLogP2.74
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[3-[(3-methoxyphenyl)methoxy]-4-nitrophenyl]methanamine
CID 62116037
[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methanamine;hydrochloride
CID 42892412
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[4-(2,5-dimethoxyphenyl)-3-phenylmethoxyphenyl]methanamine;hydrochloride
CID 176508461
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine (CID 60879812) is [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine is COc1cccc(COc2ccc(CN)cc2OC)c1.
What is the InChIKey of [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is KONCQPMCGOGHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-14-5-3-4-13(8-14)11-20-15-7-6-12(10-17)9-16(15)19-2/h3-9H,10-11,17H2,1-2H3.
What are the key properties of [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine?
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine has a molecular weight of 273.33 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60879812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).