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

C13H22N2O3 — CID 116909317

IUPACN,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
SMILESCNC(c1cc(OC)c(OC)c(OC)c1)N(C)C
InChIInChI=1S/C13H22N2O3/c1-14-13(15(2)3)9-7-10(16-4)12(18-6)11(8-9)17-5/h7-8,13-14H,1-6H3
InChIKeyAFFGBMDGMVXBIF-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.49
Rot. Bonds6

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

N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine (PubChem CID 116909317) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine.

Molecular Properties

Compound NameN,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
PubChem CID116909317
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
SMILESCNC(c1cc(OC)c(OC)c(OC)c1)N(C)C
InChIInChI=1S/C13H22N2O3/c1-14-13(15(2)3)9-7-10(16-4)12(18-6)11(8-9)17-5/h7-8,13-14H,1-6H3
InChIKeyAFFGBMDGMVXBIF-UHFFFAOYSA-N
XLogP1.49
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
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'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
N,N-dimethyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 116914683
1-(3-fluoro-4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909206
1-(4-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909199
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
1-(4-methoxy-2,5-dimethylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909230
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
1-(2-methoxy-5-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909202
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226

Frequently Asked Questions

What is the IUPAC name of N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
The IUPAC name of N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine (CID 116909317) is N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine.
What is the SMILES notation for N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
The canonical SMILES for N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine is CNC(c1cc(OC)c(OC)c(OC)c1)N(C)C.
What is the InChIKey of N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
The InChIKey is AFFGBMDGMVXBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-14-13(15(2)3)9-7-10(16-4)12(18-6)11(8-9)17-5/h7-8,13-14H,1-6H3.
What are the key properties of N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine?
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine has a molecular weight of 254.33 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine is sourced from PubChem (CID 116909317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).