3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine

C15H19N3S — CID 66065398

IUPAC3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
SMILESCNC(CSc1ccc(C)cc1)c1cnccc1N
InChIInChI=1S/C15H19N3S/c1-11-3-5-12(6-4-11)19-10-15(17-2)13-9-18-8-7-14(13)16/h3-9,15,17H,10H2,1-2H3,(H2,16,18)
InChIKeyNOAPVSDAMQHALU-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.03
Rot. Bonds5

About 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine

3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine (PubChem CID 66065398) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
PubChem CID66065398
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
SMILESCNC(CSc1ccc(C)cc1)c1cnccc1N
InChIInChI=1S/C15H19N3S/c1-11-3-5-12(6-4-11)19-10-15(17-2)13-9-18-8-7-14(13)16/h3-9,15,17H,10H2,1-2H3,(H2,16,18)
InChIKeyNOAPVSDAMQHALU-UHFFFAOYSA-N
XLogP3.03
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066583
3-[2-cyclopentylsulfanyl-1-(methylamino)ethyl]pyridin-4-amine
CID 65138823
3-[1-(methylamino)but-3-enyl]pyridin-4-amine
CID 116660648
1-(2-fluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066784
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708230
1-(4-amino-3-pyridinyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 79087902
1-(2,4-difluorophenyl)-N-methyl-2-(4-methylphenyl)sulfanylethanamine
CID 66066186
3-[1-(methylamino)-2-(oxolan-3-yl)ethyl]pyridin-4-amine
CID 103987130
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-4-amine
CID 66148525
3-[3-(4-bromophenyl)sulfanyl-2-(methylamino)propyl]pyridin-4-amine
CID 66056891
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine
CID 105238112

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine?
The IUPAC name of 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine (CID 66065398) is 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine.
What is the SMILES notation for 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine?
The canonical SMILES for 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine is CNC(CSc1ccc(C)cc1)c1cnccc1N.
What is the InChIKey of 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine?
The InChIKey is NOAPVSDAMQHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11-3-5-12(6-4-11)19-10-15(17-2)13-9-18-8-7-14(13)16/h3-9,15,17H,10H2,1-2H3,(H2,16,18).
What are the key properties of 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine?
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine has a molecular weight of 273.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine is sourced from PubChem (CID 66065398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).