3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline

C18H23NO3 — CID 775203

IUPAC3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(C)cc(C)c2)c(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-12-8-13(2)10-15(9-12)19-11-14-6-7-16(20-3)18(22-5)17(14)21-4/h6-10,19H,11H2,1-5H3
InChIKeyGZWQJMHFKJMEFV-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.94
Rot. Bonds6

About 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline

3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline (PubChem CID 775203) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
PubChem CID775203
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
SMILESCOc1ccc(CNc2cc(C)cc(C)c2)c(OC)c1OC
InChIInChI=1S/C18H23NO3/c1-12-8-13(2)10-15(9-12)19-11-14-6-7-16(20-3)18(22-5)17(14)21-4/h6-10,19H,11H2,1-5H3
InChIKeyGZWQJMHFKJMEFV-UHFFFAOYSA-N
XLogP3.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 3351558
N-[(2-ethoxy-3-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 39386959
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-methylaniline
CID 104938214
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 775198
3-methyl-4-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]aniline
CID 60507459
N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
CID 784077
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 171154855
3-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-5-methylaniline
CID 107582097
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2-methoxy-5-nitrophenyl)methyl]-3,5-dimethylaniline
CID 43212565

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The IUPAC name of 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline (CID 775203) is 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline.
What is the SMILES notation for 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The canonical SMILES for 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline is COc1ccc(CNc2cc(C)cc(C)c2)c(OC)c1OC.
What is the InChIKey of 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
The InChIKey is GZWQJMHFKJMEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-12-8-13(2)10-15(9-12)19-11-14-6-7-16(20-3)18(22-5)17(14)21-4/h6-10,19H,11H2,1-5H3.
What are the key properties of 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline?
3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline has a molecular weight of 301.39 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]aniline is sourced from PubChem (CID 775203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).