4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline

C11H18N2O2 — CID 22439028

IUPAC4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
SMILESCNCCc1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H18N2O2/c1-13-5-4-8-6-10(14-2)11(15-3)7-9(8)12/h6-7,13H,4-5,12H2,1-3H3
InChIKeyNUXHJYZTRCTDCM-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.05
Rot. Bonds5

About 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline

4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline (PubChem CID 22439028) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
PubChem CID22439028
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
SMILESCNCCc1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H18N2O2/c1-13-5-4-8-6-10(14-2)11(15-3)7-9(8)12/h6-7,13H,4-5,12H2,1-3H3
InChIKeyNUXHJYZTRCTDCM-UHFFFAOYSA-N
XLogP1.05
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
2,6-difluoro-3-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117309032
4-amino-5-[2-(methylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 90677984
4-methoxy-2,3-dimethyl-6-[2-(methylamino)ethyl]phenol
CID 117299085
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
6-methoxy-2,3-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 117299082
2-(2-bromo-4-methoxy-5-propan-2-yloxyphenyl)-N-methylethanamine
CID 117486828
2-[2-[ethyl(methyl)amino]ethyl]-4,5-dimethoxyaniline;hydrochloride
CID 18789881
2-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-N-methylethanamine
CID 117364649
4,5-dimethoxy-2-prop-2-enylaniline
CID 606353
N'-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylmethanediamine
CID 115227195
2-(5,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675794

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline?
The IUPAC name of 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline (CID 22439028) is 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline.
What is the SMILES notation for 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline?
The canonical SMILES for 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline is CNCCc1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline?
The InChIKey is NUXHJYZTRCTDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-5-4-8-6-10(14-2)11(15-3)7-9(8)12/h6-7,13H,4-5,12H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline?
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline has a molecular weight of 210.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline is sourced from PubChem (CID 22439028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).