2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine

C18H23NO2 — CID 112610278

IUPAC2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOCCNCc1cccc(C)c1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15-7-6-10-17(13-19-11-12-20-2)18(15)21-14-16-8-4-3-5-9-16/h3-10,19H,11-14H2,1-2H3
InChIKeyQIWPEOOYKNMERH-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.31
Rot. Bonds8

About 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine

2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine (PubChem CID 112610278) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
PubChem CID112610278
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine
SMILESCOCCNCc1cccc(C)c1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-15-7-6-10-17(13-19-11-12-20-2)18(15)21-14-16-8-4-3-5-9-16/h3-10,19H,11-14H2,1-2H3
InChIKeyQIWPEOOYKNMERH-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 112610838
N-[(3,5-dimethyl-4-phenylmethoxyphenyl)methyl]-2-methoxyethanamine
CID 63062517
2-methoxy-N-[[3-methyl-2-(2-methylsulfanylethoxy)phenyl]methyl]ethanamine
CID 113473481
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
2-methoxy-N-[[3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 115954443
N-[[2-(2-cyclopropylethoxy)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610300
N-[[2-[(E)-but-2-enoxy]-3-methylphenyl]methyl]-2-methoxyethanamine
CID 112610273
2-methoxy-N-[[3-methyl-2-(3-methylbut-3-enoxy)phenyl]methyl]ethanamine
CID 114471739
2-methoxy-N-[[3-methyl-2-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 107041629
N-[(3-methyl-2-phenylmethoxyphenyl)methyl]cyclopropanamine
CID 112609978
3-[[2-methyl-6-(propylaminomethyl)phenoxy]methyl]phenol
CID 115952789
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine (CID 112610278) is 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine is COCCNCc1cccc(C)c1OCc1ccccc1.
What is the InChIKey of 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine?
The InChIKey is QIWPEOOYKNMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-7-6-10-17(13-19-11-12-20-2)18(15)21-14-16-8-4-3-5-9-16/h3-10,19H,11-14H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine?
2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methyl-2-phenylmethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 112610278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).