2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride

C13H23ClN2O2 — CID 18789881

IUPAC2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride
SMILESCCN(C)CCc1cc(OC)c(OC)cc1N.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-5-15(2)7-6-10-8-12(16-3)13(17-4)9-11(10)14;/h8-9H,5-7,14H2,1-4H3;1H
InChIKeyWQQZADMUFYZDOY-UHFFFAOYSA-N
MW274.79 g/mol
LogP2.20
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride

2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride (PubChem CID 18789881) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride
PubChem CID18789881
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride
SMILESCCN(C)CCc1cc(OC)c(OC)cc1N.Cl
InChIInChI=1S/C13H22N2O2.ClH/c1-5-15(2)7-6-10-8-12(16-3)13(17-4)9-11(10)14;/h8-9H,5-7,14H2,1-4H3;1H
InChIKeyWQQZADMUFYZDOY-UHFFFAOYSA-N
XLogP2.20
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
N-ethyl-N-methyl-2-(2,4,6-trimethoxyphenyl)ethanamine
CID 115259613
3-(2-amino-4,5-dimethoxyphenyl)-N,N-bis(2-hydroxyethyl)propanamide
CID 82071577
2-[2-(4,5-dimethoxy-2-methylphenyl)ethyl-methylamino]ethanethiol
CID 115224385
N-(hydrazinylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)-N-methylethanamine
CID 115261266
5-fluoro-4-methoxy-2-propylaniline
CID 130537729
N-ethyl-2-[5-methoxy-2-methyl-4-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-methylethanamine
CID 71290607
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840
4-[2-[benzyl(methyl)amino]ethyl]-5-chloro-2-methoxyaniline
CID 89431983

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride (CID 18789881) is 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride is CCN(C)CCc1cc(OC)c(OC)cc1N.Cl.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride?
The InChIKey is WQQZADMUFYZDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c1-5-15(2)7-6-10-8-12(16-3)13(17-4)9-11(10)14;/h8-9H,5-7,14H2,1-4H3;1H.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride?
2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride is sourced from PubChem (CID 18789881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).