N-ethyl-2,3,6-trimethoxyaniline

C11H17NO3 — CID 71236321

IUPACN-ethyl-2,3,6-trimethoxyaniline
SMILESCCNc1c(OC)ccc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-5-12-10-8(13-2)6-7-9(14-3)11(10)15-4/h6-7,12H,5H2,1-4H3
InChIKeyGEKVTTBCKXESLT-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.14
Rot. Bonds5

About N-ethyl-2,3,6-trimethoxyaniline

N-ethyl-2,3,6-trimethoxyaniline (PubChem CID 71236321) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-ethyl-2,3,6-trimethoxyaniline.

Molecular Properties

Compound NameN-ethyl-2,3,6-trimethoxyaniline
PubChem CID71236321
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-ethyl-2,3,6-trimethoxyaniline
SMILESCCNc1c(OC)ccc(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-5-12-10-8(13-2)6-7-9(14-3)11(10)15-4/h6-7,12H,5H2,1-4H3
InChIKeyGEKVTTBCKXESLT-UHFFFAOYSA-N
XLogP2.14
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,4-dimethoxy-2-methylaniline
CID 143026741
N-ethyl-2-methoxy-6-methylaniline
CID 22769655
3-(ethylamino)-2,6-dimethoxyphenol
CID 19389311
4-(ethylamino)-3,5-dimethoxybenzoic acid
CID 21280955
N-ethyl-2-methoxy-6-nitroaniline
CID 89287909
N-ethyl-2,3-difluoro-4-methoxyaniline;hydrochloride
CID 174514684
5-(ethylamino)-2-methoxyphenol
CID 43743866
1-ethyl-3,4-dimethoxy-2-methylbenzene
CID 54293104
6-(2,3-dimethoxyphenyl)-N-ethylpyridin-2-amine
CID 82795148
1-(6-ethyl-2,3-dimethoxyphenyl)-N-methoxymethanamine
CID 117323985
1-[3-(ethylamino)-4-methoxyphenyl]butan-1-one
CID 172859147
2-[(2-methoxynaphthalen-1-yl)amino]acetic acid
CID 66808022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,6-trimethoxyaniline?
The IUPAC name of N-ethyl-2,3,6-trimethoxyaniline (CID 71236321) is N-ethyl-2,3,6-trimethoxyaniline.
What is the SMILES notation for N-ethyl-2,3,6-trimethoxyaniline?
The canonical SMILES for N-ethyl-2,3,6-trimethoxyaniline is CCNc1c(OC)ccc(OC)c1OC.
What is the InChIKey of N-ethyl-2,3,6-trimethoxyaniline?
The InChIKey is GEKVTTBCKXESLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-12-10-8(13-2)6-7-9(14-3)11(10)15-4/h6-7,12H,5H2,1-4H3.
What are the key properties of N-ethyl-2,3,6-trimethoxyaniline?
N-ethyl-2,3,6-trimethoxyaniline has a molecular weight of 211.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,6-trimethoxyaniline is sourced from PubChem (CID 71236321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).