1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C16H19Cl2N3 — CID 60915259

IUPAC1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccncc1)C(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3/c1-21(10-7-12-5-8-20-9-6-12)15(11-19)13-3-2-4-14(17)16(13)18/h2-6,8-9,15H,7,10-11,19H2,1H3
InChIKeyBUILNGIKHHFOSW-UHFFFAOYSA-N
MW324.25 g/mol
LogP3.56
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine

1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 60915259) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID60915259
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Name1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(CCc1ccncc1)C(CN)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3/c1-21(10-7-12-5-8-20-9-6-12)15(11-19)13-3-2-4-14(17)16(13)18/h2-6,8-9,15H,7,10-11,19H2,1H3
InChIKeyBUILNGIKHHFOSW-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 114487976
N-methyl-N-(2-pyridin-4-ylethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 54945196
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
1-(5-bromofuran-2-yl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 54945007
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 61438735
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492
1-(2-chlorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112657428
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212439
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017
N-cyclopropyl-1-(2,3-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 43264069
5-[[2-amino-1-(2-chlorophenyl)ethyl]-methylamino]pentan-1-ol
CID 107198381

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 60915259) is 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CN(CCc1ccncc1)C(CN)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is BUILNGIKHHFOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-21(10-7-12-5-8-20-9-6-12)15(11-19)13-3-2-4-14(17)16(13)18/h2-6,8-9,15H,7,10-11,19H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 324.25 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 60915259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).