2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine

C18H23NO2 — CID 170868758

IUPAC2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1COc1cc(C)ccc1C
InChIInChI=1S/C18H23NO2/c1-13-4-5-14(2)18(10-13)21-12-16-11-15(8-9-19)6-7-17(16)20-3/h4-7,10-11H,8-9,12,19H2,1-3H3
InChIKeyMCJYJZZVRFPUKD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.39
Rot. Bonds6

About 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine

2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine (PubChem CID 170868758) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
PubChem CID170868758
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
SMILESCOc1ccc(CCN)cc1COc1cc(C)ccc1C
InChIInChI=1S/C18H23NO2/c1-13-4-5-14(2)18(10-13)21-12-16-11-15(8-9-19)6-7-17(16)20-3/h4-7,10-11H,8-9,12,19H2,1-3H3
InChIKeyMCJYJZZVRFPUKD-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

[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62671085
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
2-[2-[(2,5-dimethylphenyl)methoxy]-5-methoxyphenyl]ethanamine
CID 61482092
2-[4-[2-(2,5-dimethylphenoxy)ethoxy]-3-ethoxyphenyl]ethanamine
CID 22681578
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353294
2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 114348469
2-[5-methoxy-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 60906080
1-[3-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 102981053
3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine (CID 170868758) is 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine is COc1ccc(CCN)cc1COc1cc(C)ccc1C.
What is the InChIKey of 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
The InChIKey is MCJYJZZVRFPUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-4-5-14(2)18(10-13)21-12-16-11-15(8-9-19)6-7-17(16)20-3/h4-7,10-11H,8-9,12,19H2,1-3H3.
What are the key properties of 2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine?
2-[3-[(2,5-dimethylphenoxy)methyl]-4-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-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 170868758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).