[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine

C14H16N2S — CID 114484730

IUPAC[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1CSc1ccccn1
InChIInChI=1S/C14H16N2S/c1-11-8-12(9-15)5-6-13(11)10-17-14-4-2-3-7-16-14/h2-8H,9-10,15H2,1H3
InChIKeyCNYBTWIOSMBWFC-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.14
Rot. Bonds4

About [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine

[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine (PubChem CID 114484730) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine
PubChem CID114484730
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine
SMILESCc1cc(CN)ccc1CSc1ccccn1
InChIInChI=1S/C14H16N2S/c1-11-8-12(9-15)5-6-13(11)10-17-14-4-2-3-7-16-14/h2-8H,9-10,15H2,1H3
InChIKeyCNYBTWIOSMBWFC-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methyl-4-pyridin-2-ylsulfanylphenyl)methanamine
CID 60930294
[3-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 114484773
[3-methyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanamine
CID 114484719
2-[(2-methyl-5-propan-2-ylphenyl)methylsulfanyl]pyridine
CID 21406924
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
[4-[(4-chlorophenyl)methylsulfanylmethyl]-3-methylphenyl]methanamine
CID 114790763
[3-methyl-4-(quinolin-4-ylmethyl)phenyl]methanamine
CID 66481827
[3-methyl-4-(3-methylbutylsulfanylmethyl)phenyl]methanamine
CID 107752351
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
2-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]pyridine
CID 39529079
2-(4-ethyl-3-methylphenyl)sulfanylpyridine
CID 71179430
[4-methyl-3-(2-phenylethyl)phenyl]methanamine
CID 134425806

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine (CID 114484730) is [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine is Cc1cc(CN)ccc1CSc1ccccn1.
What is the InChIKey of [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine?
The InChIKey is CNYBTWIOSMBWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-11-8-12(9-15)5-6-13(11)10-17-14-4-2-3-7-16-14/h2-8H,9-10,15H2,1H3.
What are the key properties of [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine?
[3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(pyridin-2-ylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 114484730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).