2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine

C18H23NO2 — CID 82353294

IUPAC2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(OC)c(COc2ccc(CCN)cc2)c1
InChIInChI=1S/C18H23NO2/c1-3-14-6-9-18(20-2)16(12-14)13-21-17-7-4-15(5-8-17)10-11-19/h4-9,12H,3,10-11,13,19H2,1-2H3
InChIKeyRRCVELUUQXEREP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds7

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

2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine (PubChem CID 82353294) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
PubChem CID82353294
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine
SMILESCCc1ccc(OC)c(COc2ccc(CCN)cc2)c1
InChIInChI=1S/C18H23NO2/c1-3-14-6-9-18(20-2)16(12-14)13-21-17-7-4-15(5-8-17)10-11-19/h4-9,12H,3,10-11,13,19H2,1-2H3
InChIKeyRRCVELUUQXEREP-UHFFFAOYSA-N
XLogP3.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 62018565
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
2-[4-methoxy-3-(methoxymethyl)phenyl]ethanamine
CID 55253717
2-[4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 82353296
1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene
CID 57398314
[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylidenehydrazine
CID 168529604
2-[3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 170868758
2-[(4-ethylphenoxy)methyl]-1-methoxy-4-nitrobenzene
CID 60656846
2-[4-[(3,5-dimethoxyphenyl)methoxy]phenyl]ethanamine;hydrochloride
CID 11666965
3-[(4-bromophenoxy)methyl]-4-methoxyaniline
CID 43134652
2-[(3-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64765116
[2-methoxy-4-[(4-propylphenoxy)methyl]phenyl]methanamine
CID 106786322

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine (CID 82353294) is 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine is CCc1ccc(OC)c(COc2ccc(CCN)cc2)c1.
What is the InChIKey of 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine?
The InChIKey is RRCVELUUQXEREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-14-6-9-18(20-2)16(12-14)13-21-17-7-4-15(5-8-17)10-11-19/h4-9,12H,3,10-11,13,19H2,1-2H3.
What are the key properties of 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine?
2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethyl-2-methoxyphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 82353294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).