3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine

C14H15ClN2S — CID 133352465

IUPAC3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine
SMILESCSc1ccc(CN(C)c2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2S/c1-17(14-7-8-16-9-13(14)15)10-11-3-5-12(18-2)6-4-11/h3-9H,10H2,1-2H3
InChIKeySJSINXOXVMGEQE-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.09
Rot. Bonds4

About 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine

3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine (PubChem CID 133352465) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine
PubChem CID133352465
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine
SMILESCSc1ccc(CN(C)c2ccncc2Cl)cc1
InChIInChI=1S/C14H15ClN2S/c1-17(14-7-8-16-9-13(14)15)10-11-3-5-12(18-2)6-4-11/h3-9H,10H2,1-2H3
InChIKeySJSINXOXVMGEQE-UHFFFAOYSA-N
XLogP4.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(4-chlorophenyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 61357479
3-chloro-N-[(3,5-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 171335993
N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
CID 79841413
3-chloro-N-(2-chloropropyl)-N-methylpyridin-4-amine
CID 79841040
5-chloro-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 172881704
N'-(3-chloro-4-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 79840509
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246480
N-[4-(aminomethyl)phenyl]-3-chloro-N-methylpyridin-4-amine
CID 79840601
2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147195
3-chloro-N-[(3-chlorocyclobutyl)methyl]-N-methylpyridin-4-amine
CID 79840375
3-[(3-chloro-4-pyridinyl)-methylamino]propanethioamide
CID 79840987
4-(chloromethyl)-N-methyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 105067321

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine (CID 133352465) is 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine is CSc1ccc(CN(C)c2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
The InChIKey is SJSINXOXVMGEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-17(14-7-8-16-9-13(14)15)10-11-3-5-12(18-2)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine?
3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine has a molecular weight of 278.81 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 133352465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).