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

C16H19Cl2N3 — CID 62985251

IUPAC3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)C(C)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3/c1-11(13-6-4-5-7-14(13)17)21(3)16-15(18)8-12(9-19-2)10-20-16/h4-8,10-11,19H,9H2,1-3H3
InChIKeyLLLONHIUTCUGTM-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.31
Rot. Bonds5

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

3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine (PubChem CID 62985251) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
PubChem CID62985251
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine
SMILESCNCc1cnc(N(C)C(C)c2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C16H19Cl2N3/c1-11(13-6-4-5-7-14(13)17)21(3)16-15(18)8-12(9-19-2)10-20-16/h4-8,10-11,19H,9H2,1-3H3
InChIKeyLLLONHIUTCUGTM-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

N-[1-(2-chlorophenyl)ethyl]-N,3-dimethyl-5-(methylaminomethyl)pyridin-2-amine
CID 80638564
N-[1-(2-chlorophenyl)ethyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62985079
5-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylpyrimidin-2-amine
CID 113387953
3-chloro-N-methyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 55059008
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
3-chloro-N-(4-methoxyphenyl)-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62294086
3-chloro-N-methyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55054537
3,5-dichloro-6-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyridine-2,6-diamine
CID 102758072
N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
CID 62278984
3-chloro-N-(cyclopropylmethyl)-5-(methylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 55059331
3-chloro-N-methyl-5-(methylaminomethyl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 62281580
3-chloro-N-ethyl-N-(2-ethylbutyl)-5-(methylaminomethyl)pyridin-2-amine
CID 62293550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine (CID 62985251) is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine is CNCc1cnc(N(C)C(C)c2ccccc2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
The InChIKey is LLLONHIUTCUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-11(13-6-4-5-7-14(13)17)21(3)16-15(18)8-12(9-19-2)10-20-16/h4-8,10-11,19H,9H2,1-3H3.
What are the key properties of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine?
3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(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 3-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-5-(methylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 62985251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).