N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

C14H24N2O2 — CID 779156

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C14H24N2O2/c1-15(2)8-9-16(3)11-12-6-7-13(17-4)14(10-12)18-5/h6-7,10H,8-9,11H2,1-5H3
InChIKeyQKRUQAAUPSYDTE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.70
Rot. Bonds7

About N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 779156) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID779156
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C14H24N2O2/c1-15(2)8-9-16(3)11-12-6-7-13(17-4)14(10-12)18-5/h6-7,10H,8-9,11H2,1-5H3
InChIKeyQKRUQAAUPSYDTE-UHFFFAOYSA-N
XLogP1.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
4-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxybenzenecarboximidamide
CID 106790869
4-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
2-(2-chloroethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
CID 114242574
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine
CID 131916479
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
2-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropan-1-amine
CID 80667582

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 779156) is N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is COc1ccc(CN(C)CCN(C)C)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is QKRUQAAUPSYDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15(2)8-9-16(3)11-12-6-7-13(17-4)14(10-12)18-5/h6-7,10H,8-9,11H2,1-5H3.
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 779156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).