3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine

C13H22N2O2 — CID 80731070

IUPAC3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
SMILESCOCCN(C)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-13-8-11(14)7-12(9-13)15(3)5-6-16-4/h7-10H,5-6,14H2,1-4H3
InChIKeyZQFYKHQMCKCJNF-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.14
Rot. Bonds6

About 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine

3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80731070) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80731070
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
SMILESCOCCN(C)c1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C13H22N2O2/c1-10(2)17-13-8-11(14)7-12(9-13)15(3)5-6-16-4/h7-10H,5-6,14H2,1-4H3
InChIKeyZQFYKHQMCKCJNF-UHFFFAOYSA-N
XLogP2.14
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-diamine
CID 61427146
5-ethoxy-3-N-methyl-3-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059783
3-[(3-amino-N-methyl-5-propan-2-yloxyanilino)methyl]cyclobutan-1-ol
CID 80735488
3-N,3-N-bis(2-methylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80730138
3-N-(4-methoxyphenyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80739510
2-(3-amino-N-methyl-5-propan-2-yloxyanilino)-N-ethylacetamide
CID 80740226
3-N-[3-(dimethylamino)propyl]-3-N-ethyl-5-propan-2-yloxybenzene-1,3-diamine
CID 102991115
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine
CID 80727262
3-N-methyl-3-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80736074
2-(3-amino-N-ethyl-5-propan-2-yloxyanilino)ethanol
CID 80730244
3-N-cyclopropyl-5-propan-2-yloxy-3-N-propylbenzene-1,3-diamine
CID 80722008
3-N-ethyl-3-N-(2-ethylbutyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80731502

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine (CID 80731070) is 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine is COCCN(C)c1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is ZQFYKHQMCKCJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(2)17-13-8-11(14)7-12(9-13)15(3)5-6-16-4/h7-10H,5-6,14H2,1-4H3.
What are the key properties of 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxyethyl)-3-N-methyl-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80731070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).