3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

C14H15Cl2N3 — CID 43707640

IUPAC3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3/c1-19(2)14-12(7-4-8-17-14)18-9-10-5-3-6-11(15)13(10)16/h3-8,18H,9H2,1-2H3
InChIKeyWTNJDDCPHJQXJN-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.07
Rot. Bonds4

About 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine

3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (PubChem CID 43707640) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
PubChem CID43707640
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
SMILESCN(C)c1ncccc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3/c1-19(2)14-12(7-4-8-17-14)18-9-10-5-3-6-11(15)13(10)16/h3-8,18H,9H2,1-2H3
InChIKeyWTNJDDCPHJQXJN-UHFFFAOYSA-N
XLogP4.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
3-N-[(2-ethylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 55067063
3-N-[(2-chloro-4-fluorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103096855
3-N-[(4-chloro-2-methylphenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 103275724
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
3-N-[(5-chlorothiophen-2-yl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707585
methyl 2-[[[2-(dimethylamino)-3-pyridinyl]amino]methyl]benzoate
CID 43784170
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
1-(3-chloro-2-methylphenyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076066
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
2-N,2-N-dimethyl-3-N-propylpyridine-2,3-diamine
CID 43707989
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The IUPAC name of 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine (CID 43707640) is 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The canonical SMILES for 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is CN(C)c1ncccc1NCc1cccc(Cl)c1Cl.
What is the InChIKey of 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
The InChIKey is WTNJDDCPHJQXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-19(2)14-12(7-4-8-17-14)18-9-10-5-3-6-11(15)13(10)16/h3-8,18H,9H2,1-2H3.
What are the key properties of 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine?
3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine has a molecular weight of 296.20 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2,3-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 43707640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).