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

C12H20N2O2 — CID 43373768

IUPACN'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-14(7-6-13)9-10-4-5-11(15-2)12(8-10)16-3/h4-5,8H,6-7,9,13H2,1-3H3
InChIKeyWMPDWDHCQYFJET-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.09
Rot. Bonds6

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

N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 43373768) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID43373768
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCOc1ccc(CN(C)CCN)cc1OC
InChIInChI=1S/C12H20N2O2/c1-14(7-6-13)9-10-4-5-11(15-2)12(8-10)16-3/h4-5,8H,6-7,9,13H2,1-3H3
InChIKeyWMPDWDHCQYFJET-UHFFFAOYSA-N
XLogP1.09
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
N'-[(3,4-dimethoxyphenyl)methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 779156
2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethanol;hydrochloride
CID 2963067
4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]aniline
CID 10447541
N'-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55103758
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)-N-methylethanamine;hydrochloride
CID 3029793
4-[(3,4-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 39366066
2-(2-chloroethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
CID 114242574
ethyl N-(2-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 124908731
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
6-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-1,3,5-triazine-2,4-diamine
CID 8845028

Frequently Asked Questions

What is the IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 43373768) is N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine is COc1ccc(CN(C)CCN)cc1OC.
What is the InChIKey of N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is WMPDWDHCQYFJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(7-6-13)9-10-4-5-11(15-2)12(8-10)16-3/h4-5,8H,6-7,9,13H2,1-3H3.
What are the key properties of N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 43373768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).