N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine

C14H20N4O2 — CID 131916479

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine
SMILESCOc1ccc(CN(C)CCn2cnnc2)cc1OC
InChIInChI=1S/C14H20N4O2/c1-17(6-7-18-10-15-16-11-18)9-12-4-5-13(19-2)14(8-12)20-3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyFWBWNAWCFCYZDZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.43
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine

N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine (PubChem CID 131916479) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine
PubChem CID131916479
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine
SMILESCOc1ccc(CN(C)CCn2cnnc2)cc1OC
InChIInChI=1S/C14H20N4O2/c1-17(6-7-18-10-15-16-11-18)9-12-4-5-13(19-2)14(8-12)20-3/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKeyFWBWNAWCFCYZDZ-UHFFFAOYSA-N
XLogP1.43
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
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-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
2-(2-chloroethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
CID 114242574
2-[4-[(3,4-dimethoxyphenyl)methyl-methylamino]butyl]isoindole-1,3-dione
CID 18151772
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133
6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8845028
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 47027251
2-(3,4-dimethoxyphenyl)-N-methyl-N-(thiophen-3-ylmethyl)ethanamine
CID 23935467

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine (CID 131916479) is N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine is COc1ccc(CN(C)CCn2cnnc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine?
The InChIKey is FWBWNAWCFCYZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17(6-7-18-10-15-16-11-18)9-12-4-5-13(19-2)14(8-12)20-3/h4-5,8,10-11H,6-7,9H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine?
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine has a molecular weight of 276.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(1,2,4-triazol-4-yl)ethanamine is sourced from PubChem (CID 131916479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).