2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine

C12H20N2O2 — CID 103388458

IUPAC2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
SMILESCOc1cc(C)c(NC(C)CN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-8-5-11(15-3)12(16-4)6-10(8)14-9(2)7-13/h5-6,9,14H,7,13H2,1-4H3
InChIKeyLNLAEIIRERLIIT-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.77
Rot. Bonds5

About 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine

2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine (PubChem CID 103388458) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
PubChem CID103388458
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
SMILESCOc1cc(C)c(NC(C)CN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-8-5-11(15-3)12(16-4)6-10(8)14-9(2)7-13/h5-6,9,14H,7,13H2,1-4H3
InChIKeyLNLAEIIRERLIIT-UHFFFAOYSA-N
XLogP1.77
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 55086474
N-(1-ethylsulfonylpropan-2-yl)-4,5-dimethoxy-2-methylaniline
CID 115916509
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
2-N-(2-methoxyphenyl)propane-1,2-diamine
CID 65383995
4-(1-aminopropan-2-ylamino)-2,5-dimethylphenol
CID 106954059
2-(4,5-dimethoxy-2-methylanilino)propanoic acid
CID 66173318
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
4,5-dimethoxy-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43716780
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558
(2S)-2-(4,5-dimethoxy-2-methylanilino)-N-ethylpropanamide
CID 9044402
2-N-(2,5-dimethyl-4-pyridinyl)propane-1,2-diamine
CID 83828103

Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine (CID 103388458) is 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine is COc1cc(C)c(NC(C)CN)cc1OC.
What is the InChIKey of 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine?
The InChIKey is LNLAEIIRERLIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-5-11(15-3)12(16-4)6-10(8)14-9(2)7-13/h5-6,9,14H,7,13H2,1-4H3.
What are the key properties of 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine?
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 103388458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).