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

C12H20N2O2 — CID 96672674

IUPACN'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-9-7-11(15-3)12(16-4)8-10(9)14(2)6-5-13/h7-8H,5-6,13H2,1-4H3
InChIKeyPYRFLCRRTNRYRC-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.41
Rot. Bonds5

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

N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 96672674) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
PubChem CID96672674
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-9-7-11(15-3)12(16-4)8-10(9)14(2)6-5-13/h7-8H,5-6,13H2,1-4H3
InChIKeyPYRFLCRRTNRYRC-UHFFFAOYSA-N
XLogP1.41
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
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

N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
2-(4,5-dimethoxy-N,2-dimethylanilino)ethanethiol
CID 115223827
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
N-(2-aminoethyl)-4,5-dimethoxy-N,2-dimethylbenzenesulfonamide
CID 55104084
N-(2-chloroethyl)-2,5-dimethoxy-N,4-dimethylaniline
CID 115214731
4-N-ethyl-2-methoxy-4-N,5-dimethylbenzene-1,4-diamine
CID 130542259
3-(4,5-dimethoxy-N,2-dimethylanilino)propane-1,2-diol
CID 115122024
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-2-one
CID 115235537
5-(4-methoxy-N,2,5-trimethylanilino)pentan-2-one
CID 115236337
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
4-(2,5-dimethoxy-N,4-dimethylanilino)butan-1-ol
CID 115217502

Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine (CID 96672674) is N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine is COc1cc(C)c(N(C)CCN)cc1OC.
What is the InChIKey of N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is PYRFLCRRTNRYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-7-11(15-3)12(16-4)8-10(9)14(2)6-5-13/h7-8H,5-6,13H2,1-4H3.
What are the key properties of N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine?
N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 96672674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).