1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C16H21N3O — CID 43563312

IUPAC1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(N)CN(C)Cc2cccnc2)c1
InChIInChI=1S/C16H21N3O/c1-19(11-13-5-4-8-18-10-13)12-16(17)14-6-3-7-15(9-14)20-2/h3-10,16H,11-12,17H2,1-2H3
InChIKeyVUYPSNHHSOZWFR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds6

About 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43563312) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID43563312
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCOc1cccc(C(N)CN(C)Cc2cccnc2)c1
InChIInChI=1S/C16H21N3O/c1-19(11-13-5-4-8-18-10-13)12-16(17)14-6-3-7-15(9-14)20-2/h3-10,16H,11-12,17H2,1-2H3
InChIKeyVUYPSNHHSOZWFR-UHFFFAOYSA-N
XLogP2.22
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563325
1-(4-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519984
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
1-(3-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 60650680
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 43563312) is 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is COc1cccc(C(N)CN(C)Cc2cccnc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is VUYPSNHHSOZWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(11-13-5-4-8-18-10-13)12-16(17)14-6-3-7-15(9-14)20-2/h3-10,16H,11-12,17H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 271.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43563312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).