2,4-dimethoxy-N-methyl-N-phenylaniline

C15H17NO2 — CID 122399149

IUPAC2,4-dimethoxy-N-methyl-N-phenylaniline
SMILESCOc1ccc(N(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO2/c1-16(12-7-5-4-6-8-12)14-10-9-13(17-2)11-15(14)18-3/h4-11H,1-3H3
InChIKeyKKORELAYWORVTP-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.47
Rot. Bonds4

About 2,4-dimethoxy-N-methyl-N-phenylaniline

2,4-dimethoxy-N-methyl-N-phenylaniline (PubChem CID 122399149) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,4-dimethoxy-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name2,4-dimethoxy-N-methyl-N-phenylaniline
PubChem CID122399149
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2,4-dimethoxy-N-methyl-N-phenylaniline
SMILESCOc1ccc(N(C)c2ccccc2)c(OC)c1
InChIInChI=1S/C15H17NO2/c1-16(12-7-5-4-6-8-12)14-10-9-13(17-2)11-15(14)18-3/h4-11H,1-3H3
InChIKeyKKORELAYWORVTP-UHFFFAOYSA-N
XLogP3.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethoxyphenyl)-N-phenylacetamide
CID 101328675
2,4-dimethoxy-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76816285
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
3-methoxy-N,4-dimethyl-N-phenylaniline
CID 70967371
2-(2,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127855
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
[2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]anilino]-triphenylphosphanium
CID 102120560
4-(2,4-dimethoxy-N-methylanilino)cyclohexan-1-ol
CID 115149418
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
2-methoxy-4-(3-methoxy-4-methylphenyl)-N-methyl-N-(4-methylphenyl)aniline
CID 23597813
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-methyl-N-phenylaniline?
The IUPAC name of 2,4-dimethoxy-N-methyl-N-phenylaniline (CID 122399149) is 2,4-dimethoxy-N-methyl-N-phenylaniline.
What is the SMILES notation for 2,4-dimethoxy-N-methyl-N-phenylaniline?
The canonical SMILES for 2,4-dimethoxy-N-methyl-N-phenylaniline is COc1ccc(N(C)c2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-methyl-N-phenylaniline?
The InChIKey is KKORELAYWORVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16(12-7-5-4-6-8-12)14-10-9-13(17-2)11-15(14)18-3/h4-11H,1-3H3.
What are the key properties of 2,4-dimethoxy-N-methyl-N-phenylaniline?
2,4-dimethoxy-N-methyl-N-phenylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-methyl-N-phenylaniline is sourced from PubChem (CID 122399149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).