3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine

C12H20N2O — CID 81059669

IUPAC3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine
SMILESCCOCCN(C)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-4-15-9-8-14(3)12-7-5-6-11(13)10(12)2/h5-7H,4,8-9,13H2,1-3H3
InChIKeyHBWLOWLLEZKYJZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.05
Rot. Bonds5

About 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine

3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine (PubChem CID 81059669) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine
PubChem CID81059669
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine
SMILESCCOCCN(C)c1cccc(N)c1C
InChIInChI=1S/C12H20N2O/c1-4-15-9-8-14(3)12-7-5-6-11(13)10(12)2/h5-7H,4,8-9,13H2,1-3H3
InChIKeyHBWLOWLLEZKYJZ-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-N-(3-methoxypropyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 63062749
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
2-N-(2-ethoxyethyl)-3,4-difluoro-2-N-methylbenzene-1,2-diamine
CID 81059459
2-[2-ethoxyethyl(methyl)amino]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 81055001
2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 43458606
3-chloro-2-[[2-ethoxyethyl(methyl)amino]methyl]aniline
CID 81053515
N-(2-ethoxyethyl)-N-methyl-2-[1-(methylamino)ethyl]aniline
CID 81055457
2-[3-ethoxypropyl(methyl)amino]phenol
CID 18006894
[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
CID 81058166
3-N-(3,5-dimethylphenyl)-3-N,2-dimethylbenzene-1,3-diamine
CID 55146231
3-amino-2-[2-ethoxyethyl(ethyl)amino]benzamide
CID 112578972

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine (CID 81059669) is 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine is CCOCCN(C)c1cccc(N)c1C.
What is the InChIKey of 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine?
The InChIKey is HBWLOWLLEZKYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-15-9-8-14(3)12-7-5-6-11(13)10(12)2/h5-7H,4,8-9,13H2,1-3H3.
What are the key properties of 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine?
3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethoxyethyl)-3-N,2-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 81059669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).