N,N-diethyl-2,5-dimethoxy-4-methylaniline

C13H21NO2 — CID 59791351

IUPACN,N-diethyl-2,5-dimethoxy-4-methylaniline
SMILESCCN(CC)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO2/c1-6-14(7-2)11-9-12(15-4)10(3)8-13(11)16-5/h8-9H,6-7H2,1-5H3
InChIKeyFLQIIULCWJERJT-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.86
Rot. Bonds5

About N,N-diethyl-2,5-dimethoxy-4-methylaniline

N,N-diethyl-2,5-dimethoxy-4-methylaniline (PubChem CID 59791351) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N,N-diethyl-2,5-dimethoxy-4-methylaniline.

Molecular Properties

Compound NameN,N-diethyl-2,5-dimethoxy-4-methylaniline
PubChem CID59791351
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN,N-diethyl-2,5-dimethoxy-4-methylaniline
SMILESCCN(CC)c1cc(OC)c(C)cc1OC
InChIInChI=1S/C13H21NO2/c1-6-14(7-2)11-9-12(15-4)10(3)8-13(11)16-5/h8-9H,6-7H2,1-5H3
InChIKeyFLQIIULCWJERJT-UHFFFAOYSA-N
XLogP2.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethoxy N-[5-(diethylamino)-4-methoxy-2-methylphenyl]methanimidate
CID 20778018
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
N-(2,5-dimethoxy-4-methylphenyl)-N-methyl-2-oxoacetamide
CID 115166080
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
2-methoxy-N,N,4,5-tetramethylaniline
CID 117043608
N'-(4-chloro-2-methoxy-5-methylphenyl)-N'-ethylpropane-1,3-diamine
CID 28792490
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
N-(azetidin-3-ylmethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115207406

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,5-dimethoxy-4-methylaniline?
The IUPAC name of N,N-diethyl-2,5-dimethoxy-4-methylaniline (CID 59791351) is N,N-diethyl-2,5-dimethoxy-4-methylaniline.
What is the SMILES notation for N,N-diethyl-2,5-dimethoxy-4-methylaniline?
The canonical SMILES for N,N-diethyl-2,5-dimethoxy-4-methylaniline is CCN(CC)c1cc(OC)c(C)cc1OC.
What is the InChIKey of N,N-diethyl-2,5-dimethoxy-4-methylaniline?
The InChIKey is FLQIIULCWJERJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-6-14(7-2)11-9-12(15-4)10(3)8-13(11)16-5/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-2,5-dimethoxy-4-methylaniline?
N,N-diethyl-2,5-dimethoxy-4-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,5-dimethoxy-4-methylaniline is sourced from PubChem (CID 59791351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).