1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine

C13H22N2O — CID 82948626

IUPAC1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine
SMILESCOCCN(c1ccc(C)c(N)c1)C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)15(7-8-16-4)12-6-5-11(3)13(14)9-12/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyAPSCHLYHKQFFHA-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.44
Rot. Bonds5

About 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine

1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine (PubChem CID 82948626) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine
PubChem CID82948626
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine
SMILESCOCCN(c1ccc(C)c(N)c1)C(C)C
InChIInChI=1S/C13H22N2O/c1-10(2)15(7-8-16-4)12-6-5-11(3)13(14)9-12/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyAPSCHLYHKQFFHA-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylaniline
CID 82951076
3-[3-amino-N-(2-methoxyethyl)-4-methylanilino]propanenitrile
CID 63285271
2-chloro-4-N-(2-methoxyethyl)-5-methyl-4-N-propan-2-ylbenzene-1,4-diamine
CID 82949127
(1R)-1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82951638
1-N,4-dimethyl-1-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059168
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
CID 104528628
N-(2-methoxyethyl)-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 82951035
5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-2-methylaniline
CID 54985891
1-[4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanone
CID 82951599
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
CID 54987138
2-chloro-4-[2-methoxyethyl(propan-2-yl)amino]benzenecarboximidamide
CID 82950924
4-[2-methoxyethyl(propan-2-yl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 82938869

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine (CID 82948626) is 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine is COCCN(c1ccc(C)c(N)c1)C(C)C.
What is the InChIKey of 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine?
The InChIKey is APSCHLYHKQFFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10(2)15(7-8-16-4)12-6-5-11(3)13(14)9-12/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine?
1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-4-methyl-1-N-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 82948626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).