N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine

C12H20N2O3 — CID 116954412

IUPACN,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
SMILESCNC(NC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-13-12(14-2)8-6-9(15-3)11(17-5)10(7-8)16-4/h6-7,12-14H,1-5H3
InChIKeyPXYUFTKZUPKKAM-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.15
Rot. Bonds6

About N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine

N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine (PubChem CID 116954412) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
PubChem CID116954412
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
SMILESCNC(NC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H20N2O3/c1-13-12(14-2)8-6-9(15-3)11(17-5)10(7-8)16-4/h6-7,12-14H,1-5H3
InChIKeyPXYUFTKZUPKKAM-UHFFFAOYSA-N
XLogP1.15
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738
N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105001000
N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
CID 22163988
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
(1R)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 63365303
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
1-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 115855639
N-(2-methylpropoxy)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82711410
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
5-[1,4-dimethoxy-4-(3,4,5-trimethoxyphenyl)butyl]-1,2,3-trimethoxybenzene
CID 15310594

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
The IUPAC name of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine (CID 116954412) is N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
The canonical SMILES for N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine is CNC(NC)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
The InChIKey is PXYUFTKZUPKKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-13-12(14-2)8-6-9(15-3)11(17-5)10(7-8)16-4/h6-7,12-14H,1-5H3.
What are the key properties of N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine has a molecular weight of 240.30 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine is sourced from PubChem (CID 116954412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).