5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine

C16H19Cl2N3 — CID 114926352

IUPAC5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)C(C)c2cccc(Cl)c2)ncc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-11(12-5-4-6-14(17)7-12)21(3)16-8-13(9-19-2)15(18)10-20-16/h4-8,10-11,19H,9H2,1-3H3
InChIKeyUVEDVKRKCOCVNA-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.31
Rot. Bonds5

About 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine

5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine (PubChem CID 114926352) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
PubChem CID114926352
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cc(N(C)C(C)c2cccc(Cl)c2)ncc1Cl
InChIInChI=1S/C16H19Cl2N3/c1-11(12-5-4-6-14(17)7-12)21(3)16-8-13(9-19-2)15(18)10-20-16/h4-8,10-11,19H,9H2,1-3H3
InChIKeyUVEDVKRKCOCVNA-UHFFFAOYSA-N
XLogP4.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-N-[1-(3-chlorophenyl)ethyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80823025
6-(aminomethyl)-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridin-2-amine
CID 62984551
5-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 114926249
N-[1-(3-chlorophenyl)ethyl]-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62985300
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 114926811
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
4-(aminomethyl)-2-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylaniline
CID 63087520
6-chloro-4-N-[1-(3-chlorophenyl)ethyl]-4-N-methylpyrimidine-2,4-diamine
CID 47283103
5-chloro-N-methyl-4-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 114925131
5-chloro-N-methyl-4-(methylaminomethyl)-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114925260
1-(3-chlorophenyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-methylethanamine
CID 116518968
4-N-[1-(3-chlorophenyl)ethyl]-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80919266

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine (CID 114926352) is 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine is CNCc1cc(N(C)C(C)c2cccc(Cl)c2)ncc1Cl.
What is the InChIKey of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
The InChIKey is UVEDVKRKCOCVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-11(12-5-4-6-14(17)7-12)21(3)16-8-13(9-19-2)15(18)10-20-16/h4-8,10-11,19H,9H2,1-3H3.
What are the key properties of 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine?
5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine has a molecular weight of 324.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114926352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).