N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline

C17H21NO3 — CID 43757786

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCCOc1cccc(CNc2ccccc2OC)c1OC
InChIInChI=1S/C17H21NO3/c1-4-21-16-11-7-8-13(17(16)20-3)12-18-14-9-5-6-10-15(14)19-2/h5-11,18H,4,12H2,1-3H3
InChIKeyKBYPELLTZNNDPI-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.71
Rot. Bonds7

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline

N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline (PubChem CID 43757786) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
PubChem CID43757786
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
SMILESCCOc1cccc(CNc2ccccc2OC)c1OC
InChIInChI=1S/C17H21NO3/c1-4-21-16-11-7-8-13(17(16)20-3)12-18-14-9-5-6-10-15(14)19-2/h5-11,18H,4,12H2,1-3H3
InChIKeyKBYPELLTZNNDPI-UHFFFAOYSA-N
XLogP3.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-fluoroaniline
CID 43772873
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline
CID 43766538
N-[(3-ethoxy-2-methoxyphenyl)methyl]-4-iodoaniline
CID 43773219
N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
2-[(3-ethoxy-2-methoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 43771181
2-ethoxy-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43408609
2-[(2-ethoxyanilino)methyl]aniline
CID 66385823
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 54921625

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline (CID 43757786) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline is CCOc1cccc(CNc2ccccc2OC)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline?
The InChIKey is KBYPELLTZNNDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-21-16-11-7-8-13(17(16)20-3)12-18-14-9-5-6-10-15(14)19-2/h5-11,18H,4,12H2,1-3H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline has a molecular weight of 287.36 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline is sourced from PubChem (CID 43757786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).