1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine

C13H22N2O — CID 63698245

IUPAC1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
SMILESCCOCCN(CC)c1ccc(N)cc1C
InChIInChI=1S/C13H22N2O/c1-4-15(8-9-16-5-2)13-7-6-12(14)10-11(13)3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyRRIAVNYTKVOCCM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.44
Rot. Bonds6

About 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine

1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine (PubChem CID 63698245) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
PubChem CID63698245
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
SMILESCCOCCN(CC)c1ccc(N)cc1C
InChIInChI=1S/C13H22N2O/c1-4-15(8-9-16-5-2)13-7-6-12(14)10-11(13)3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyRRIAVNYTKVOCCM-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63696479
5-amino-2-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 63695956
1-N-ethyl-1-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 143231835
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
CID 63795379
1-N-ethyl-2-methyl-1-N-propylbenzene-1,4-diamine;methanesulfonamide
CID 70576933
2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
CID 79891045
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
N-(4-amino-2-methylphenyl)-N-ethylmethanesulfinamide
CID 142240260
2-N-(2-ethoxyethyl)-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 79175858
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
4-(bromomethyl)-2-chloro-N-(2-ethoxyethyl)-N-ethylaniline
CID 107083639
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine (CID 63698245) is 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine is CCOCCN(CC)c1ccc(N)cc1C.
What is the InChIKey of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
The InChIKey is RRIAVNYTKVOCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(8-9-16-5-2)13-7-6-12(14)10-11(13)3/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine?
1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 63698245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).