5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine

C17H21ClN2S — CID 63485717

IUPAC5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCc2ccccc2C)n1
InChIInChI=1S/C17H21ClN2S/c1-3-10-19-17-9-8-15(18)16(20-17)12-21-11-14-7-5-4-6-13(14)2/h4-9H,3,10-12H2,1-2H3,(H,19,20)
InChIKeyOVZKRQOSHOXGGT-UHFFFAOYSA-N
MW320.89 g/mol
LogP5.30
Rot. Bonds7

About 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine

5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 63485717) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID63485717
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(Cl)c(CSCc2ccccc2C)n1
InChIInChI=1S/C17H21ClN2S/c1-3-10-19-17-9-8-15(18)16(20-17)12-21-11-14-7-5-4-6-13(14)2/h4-9H,3,10-12H2,1-2H3,(H,19,20)
InChIKeyOVZKRQOSHOXGGT-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.89
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-(2-methoxyethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55127556
5-chloro-6-(3-methoxypropylsulfanylmethyl)-N-propylpyridin-2-amine
CID 55262087
5-chloro-6-(cyclopentylmethylsulfanylmethyl)-N-propylpyridin-2-amine
CID 63486764
5-chloro-6-[(4-chlorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486396
4-[[3-chloro-6-(propylamino)-2-pyridinyl]methylsulfanyl]phenol
CID 62885661
5-chloro-6-[(2-fluorophenyl)methoxymethyl]-N-propylpyridin-2-amine
CID 63937962
5-[(2-methylphenyl)methylsulfanylmethyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614565
5-chloro-6-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62885838
5-chloro-N-propyl-6-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 55127461
5-chloro-6-[[methyl(propyl)amino]methyl]-N-propylpyridin-2-amine
CID 62890773
3-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]pyridazine
CID 104514372
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 79233187

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine (CID 63485717) is 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1ccc(Cl)c(CSCc2ccccc2C)n1.
What is the InChIKey of 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is OVZKRQOSHOXGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-3-10-19-17-9-8-15(18)16(20-17)12-21-11-14-7-5-4-6-13(14)2/h4-9H,3,10-12H2,1-2H3,(H,19,20).
What are the key properties of 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine?
5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 320.89 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2-methylphenyl)methylsulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63485717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).