6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

C10H15ClN2S — CID 112663611

IUPAC6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1cccc(CCl)n1
InChIInChI=1S/C10H15ClN2S/c1-13(6-7-14-2)10-5-3-4-9(8-11)12-10/h3-5H,6-8H2,1-2H3
InChIKeyXJVRDSMLWMXTLH-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.62
Rot. Bonds5

About 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine

6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (PubChem CID 112663611) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
PubChem CID112663611
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
SMILESCSCCN(C)c1cccc(CCl)n1
InChIInChI=1S/C10H15ClN2S/c1-13(6-7-14-2)10-5-3-4-9(8-11)12-10/h3-5H,6-8H2,1-2H3
InChIKeyXJVRDSMLWMXTLH-UHFFFAOYSA-N
XLogP2.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112663600
2-N-tert-butyl-6-N-methyl-6-N-(2-methylsulfanylethyl)pyridine-2,6-diamine
CID 112665284
6-(chloromethyl)-N-[(2-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255692
6-(chloromethyl)-N-[(3-chlorophenyl)methyl]-N-methylpyridin-2-amine
CID 62255532
5-(aminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665261
2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol
CID 62253944
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
N'-[6-(chloromethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255713
4-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)aniline
CID 112661837
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112663010
N,6-diethyl-N-methylpyridin-2-amine
CID 68578286
6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The IUPAC name of 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine (CID 112663611) is 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine.
What is the SMILES notation for 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The canonical SMILES for 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is CSCCN(C)c1cccc(CCl)n1.
What is the InChIKey of 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
The InChIKey is XJVRDSMLWMXTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-13(6-7-14-2)10-5-3-4-9(8-11)12-10/h3-5H,6-8H2,1-2H3.
What are the key properties of 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine?
6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine has a molecular weight of 230.76 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-N-methyl-N-(2-methylsulfanylethyl)pyridin-2-amine is sourced from PubChem (CID 112663611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).