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

C11H18N2O — CID 115550147

IUPAC2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
SMILESCCOCCNc1c(C)cccc1N
InChIInChI=1S/C11H18N2O/c1-3-14-8-7-13-11-9(2)5-4-6-10(11)12/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyUBRWPMNZNLALKN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.03
Rot. Bonds5

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

2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine (PubChem CID 115550147) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
PubChem CID115550147
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine
SMILESCCOCCNc1c(C)cccc1N
InChIInChI=1S/C11H18N2O/c1-3-14-8-7-13-11-9(2)5-4-6-10(11)12/h4-6,13H,3,7-8,12H2,1-2H3
InChIKeyUBRWPMNZNLALKN-UHFFFAOYSA-N
XLogP2.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.03
H-Bond Donors ≤ 52
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

2-N-(2-cyclohexyloxyethyl)-3-methylbenzene-1,2-diamine
CID 115550552
2-N-(2-ethoxyethyl)-3,4-difluorobenzene-1,2-diamine
CID 62532492
2-N-(2-ethoxy-2-methylpropyl)-3-methylbenzene-1,2-diamine
CID 114940564
N-(2-ethoxyethyl)-2,6-difluoro-3-methylaniline
CID 82818970
3-amino-2-(3-ethoxypropylamino)benzoic acid
CID 112577884
2-(2-amino-6-methylanilino)ethylurea
CID 83116633
2-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylbenzene-1,2-diamine
CID 113333660
3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 82668611
2-(3-ethoxypropylamino)-3-methylbenzonitrile
CID 107106379
2-(3-ethoxypropylamino)-3-methylbenzoic acid
CID 107111865
2-N-[2-(azepan-1-yl)ethyl]-3-methylbenzene-1,2-diamine
CID 113333701
1-(2-amino-6-methylanilino)-2-methylbutan-2-ol
CID 115550619

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine (CID 115550147) is 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine is CCOCCNc1c(C)cccc1N.
What is the InChIKey of 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine?
The InChIKey is UBRWPMNZNLALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-14-8-7-13-11-9(2)5-4-6-10(11)12/h4-6,13H,3,7-8,12H2,1-2H3.
What are the key properties of 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine?
2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-3-methylbenzene-1,2-diamine is sourced from PubChem (CID 115550147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).