N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline

C18H23NO2 — CID 39386959

IUPACN-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
SMILESCCOc1c(CNc2cc(C)cc(C)c2)cccc1OC
InChIInChI=1S/C18H23NO2/c1-5-21-18-15(7-6-8-17(18)20-4)12-19-16-10-13(2)9-14(3)11-16/h6-11,19H,5,12H2,1-4H3
InChIKeySICRKEFEUCQAEC-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.32
Rot. Bonds6

About N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline

N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline (PubChem CID 39386959) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
PubChem CID39386959
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
SMILESCCOc1c(CNc2cc(C)cc(C)c2)cccc1OC
InChIInChI=1S/C18H23NO2/c1-5-21-18-15(7-6-8-17(18)20-4)12-19-16-10-13(2)9-14(3)11-16/h6-11,19H,5,12H2,1-4H3
InChIKeySICRKEFEUCQAEC-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-methoxyphenyl)methyl]aniline
CID 18778335
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
N-[(2-ethoxy-3-methoxyphenyl)methyl]-4-propan-2-ylaniline
CID 39422650
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 775203
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
2-[(3-bromo-5-methylanilino)methyl]-6-ethoxyphenol
CID 104938251
4-[(2-ethoxy-3-methoxyphenyl)methylamino]-3-methylbenzoic acid
CID 17059596
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
3-[(2-ethoxy-3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059594
4-tert-butyl-N-[(2,3-dimethoxyphenyl)methyl]aniline
CID 39422649
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 775198

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline?
The IUPAC name of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline (CID 39386959) is N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline is CCOc1c(CNc2cc(C)cc(C)c2)cccc1OC.
What is the InChIKey of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline?
The InChIKey is SICRKEFEUCQAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-21-18-15(7-6-8-17(18)20-4)12-19-16-10-13(2)9-14(3)11-16/h6-11,19H,5,12H2,1-4H3.
What are the key properties of N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline?
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline has a molecular weight of 285.39 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline is sourced from PubChem (CID 39386959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).