2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

C18H23NO4 — CID 78885346

IUPAC2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
SMILESCOCc1ccccc1NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H23NO4/c1-20-12-13-7-5-6-8-15(13)19-11-14-9-17(22-3)18(23-4)10-16(14)21-2/h5-10,19H,11-12H2,1-4H3
InChIKeyQMHRWTMHAMHRSQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.47
Rot. Bonds8

About 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline

2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline (PubChem CID 78885346) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
PubChem CID78885346
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
SMILESCOCc1ccccc1NCc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C18H23NO4/c1-20-12-13-7-5-6-8-15(13)19-11-14-9-17(22-3)18(23-4)10-16(14)21-2/h5-10,19H,11-12H2,1-4H3
InChIKeyQMHRWTMHAMHRSQ-UHFFFAOYSA-N
XLogP3.47
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
2-(methoxymethyl)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]aniline
CID 75385082
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986
[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]phenyl]methanol
CID 43229655
2,4-dibromo-5-methoxy-N-[[2-(methoxymethyl)phenyl]methyl]aniline
CID 103412284
2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473668
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 114841617
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
2-(methoxymethyl)-N-(pyrimidin-2-ylmethyl)aniline
CID 62699918
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
2-(methoxymethyl)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82892911

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline (CID 78885346) is 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline is COCc1ccccc1NCc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
The InChIKey is QMHRWTMHAMHRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c1-20-12-13-7-5-6-8-15(13)19-11-14-9-17(22-3)18(23-4)10-16(14)21-2/h5-10,19H,11-12H2,1-4H3.
What are the key properties of 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline?
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline has a molecular weight of 317.39 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 78885346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).