3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine

C12H20N2O — CID 104758816

IUPAC3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine
SMILESCOC(C)(C)CNc1cc(C)cc(N)c1
InChIInChI=1S/C12H20N2O/c1-9-5-10(13)7-11(6-9)14-8-12(2,3)15-4/h5-7,14H,8,13H2,1-4H3
InChIKeyZHCYDTHEOZACIZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.41
Rot. Bonds4

About 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine

3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine (PubChem CID 104758816) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine
PubChem CID104758816
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine
SMILESCOC(C)(C)CNc1cc(C)cc(N)c1
InChIInChI=1S/C12H20N2O/c1-9-5-10(13)7-11(6-9)14-8-12(2,3)15-4/h5-7,14H,8,13H2,1-4H3
InChIKeyZHCYDTHEOZACIZ-UHFFFAOYSA-N
XLogP2.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-amino-5-methylanilino)-2-methylpropan-2-yl]methanesulfonamide
CID 112647819
1-(3-amino-5-methylanilino)-3-methoxypropan-2-ol
CID 112647844
5-methyl-3-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,3-diamine
CID 112647815
4-bromo-N-(2-methoxy-2-methylpropyl)aniline
CID 130906263
3-(3-methoxy-3-methylbutoxy)-5-methylaniline
CID 106664947
3-N-[2-(dimethylamino)ethyl]-5-methylbenzene-1,3-diamine
CID 112646930
4-(3-amino-5-methylanilino)butan-2-ol
CID 112647909
5-methyl-3-N-[2-(3-methylbutoxy)ethyl]benzene-1,3-diamine
CID 112647608
4-amino-2,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758524
N-[2-(3-amino-5-methylanilino)ethyl]acetamide
CID 59089860
5-methyl-3-N-(3-methylpentyl)benzene-1,3-diamine
CID 178004989
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
CID 106334106

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine (CID 104758816) is 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine is COC(C)(C)CNc1cc(C)cc(N)c1.
What is the InChIKey of 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine?
The InChIKey is ZHCYDTHEOZACIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-5-10(13)7-11(6-9)14-8-12(2,3)15-4/h5-7,14H,8,13H2,1-4H3.
What are the key properties of 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine?
3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-2-methylpropyl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 104758816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).