1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine

C10H18N4O — CID 138705209

IUPAC1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine
SMILESCNCCOc1cc(N)cc(N)c1NC
InChIInChI=1S/C10H18N4O/c1-13-3-4-15-9-6-7(11)5-8(12)10(9)14-2/h5-6,13-14H,3-4,11-12H2,1-2H3
InChIKeyFPDXBAMLISVPIU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.49
Rot. Bonds5

About 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine

1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine (PubChem CID 138705209) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine
PubChem CID138705209
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine
SMILESCNCCOc1cc(N)cc(N)c1NC
InChIInChI=1S/C10H18N4O/c1-13-3-4-15-9-6-7(11)5-8(12)10(9)14-2/h5-6,13-14H,3-4,11-12H2,1-2H3
InChIKeyFPDXBAMLISVPIU-UHFFFAOYSA-N
XLogP0.49
TPSA85.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[2-(methylamino)ethoxy]phenol
CID 58657538
2-(aminomethyl)-5-chloro-3-[2-(methylamino)ethoxy]aniline
CID 121326569
3-[2-(2-methoxyethoxy)ethoxy]-2-N-methylbenzene-1,2-diamine
CID 143666027
1-[2-[2-(methylamino)ethoxy]phenyl]cyclopropan-1-amine
CID 141324202
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol
CID 67610904
2-[4-(difluoromethyl)-2-methylphenoxy]-N-methylethanamine;fluoromethane
CID 142886574
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
3-[(dimethylamino)methyl]-4-[2-(methylamino)ethoxy]phenol;dihydrochloride
CID 67610903

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine?
The IUPAC name of 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine (CID 138705209) is 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine.
What is the SMILES notation for 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine?
The canonical SMILES for 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine is CNCCOc1cc(N)cc(N)c1NC.
What is the InChIKey of 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine?
The InChIKey is FPDXBAMLISVPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-3-4-15-9-6-7(11)5-8(12)10(9)14-2/h5-6,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine?
1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine has a molecular weight of 210.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-6-[2-(methylamino)ethoxy]benzene-1,2,4-triamine is sourced from PubChem (CID 138705209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).