1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C15H17Cl2N3 — CID 43564737

IUPAC1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-20(10-11-5-2-3-8-19-11)14(9-18)15-12(16)6-4-7-13(15)17/h2-8,14H,9-10,18H2,1H3
InChIKeyQIWQVRNOJYFIBW-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.52
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43564737) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID43564737
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC Name1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)C(CN)c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2N3/c1-20(10-11-5-2-3-8-19-11)14(9-18)15-12(16)6-4-7-13(15)17/h2-8,14H,9-10,18H2,1H3
InChIKeyQIWQVRNOJYFIBW-UHFFFAOYSA-N
XLogP3.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
1-(3-chloro-2-fluorophenyl)-N-ethyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114488003
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564795
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 43565251
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178
1-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethane-1,2-diamine
CID 55013227
1-(2,6-dichlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438741
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43804519
(1S)-1-(4-chlorophenyl)-2-methoxy-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 129359313

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 43564737) is 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(Cc1ccccn1)C(CN)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is QIWQVRNOJYFIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c1-20(10-11-5-2-3-8-19-11)14(9-18)15-12(16)6-4-7-13(15)17/h2-8,14H,9-10,18H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 310.23 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43564737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).