2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine

C18H23NO2 — CID 61482172

IUPAC2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCc1cc(C)ccc1C
InChIInChI=1S/C18H23NO2/c1-13-7-8-14(2)16(11-13)12-21-18-15(9-10-19)5-4-6-17(18)20-3/h4-8,11H,9-10,12,19H2,1-3H3
InChIKeyRETUIVKDVRDLFM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.39
Rot. Bonds6

About 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine

2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 61482172) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID61482172
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCc1cc(C)ccc1C
InChIInChI=1S/C18H23NO2/c1-13-7-8-14(2)16(11-13)12-21-18-15(9-10-19)5-4-6-17(18)20-3/h4-8,11H,9-10,12,19H2,1-3H3
InChIKeyRETUIVKDVRDLFM-UHFFFAOYSA-N
XLogP3.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20986801
2-[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60904969
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 61482133
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113
2-[3-methoxy-2-(1,2-oxazol-4-ylmethoxy)phenyl]ethanamine
CID 54930681
1,4-dimethyl-2-[(2-methylphenoxy)methyl]benzene
CID 60627928
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine (CID 61482172) is 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine is COc1cccc(CCN)c1OCc1cc(C)ccc1C.
What is the InChIKey of 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is RETUIVKDVRDLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-7-8-14(2)16(11-13)12-21-18-15(9-10-19)5-4-6-17(18)20-3/h4-8,11H,9-10,12,19H2,1-3H3.
What are the key properties of 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine?
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 61482172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).