N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine

C18H24N2S — CID 102926160

IUPACN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)nc(Sc2ccc(CNC(C)(C)C)cc2)c1
InChIInChI=1S/C18H24N2S/c1-13-10-14(2)20-17(11-13)21-16-8-6-15(7-9-16)12-19-18(3,4)5/h6-11,19H,12H2,1-5H3
InChIKeyCLKDUMSGLNJTKQ-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.74
Rot. Bonds4

About N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 102926160) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID102926160
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)nc(Sc2ccc(CNC(C)(C)C)cc2)c1
InChIInChI=1S/C18H24N2S/c1-13-10-14(2)20-17(11-13)21-16-8-6-15(7-9-16)12-19-18(3,4)5/h6-11,19H,12H2,1-5H3
InChIKeyCLKDUMSGLNJTKQ-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine (CID 102926160) is N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine is Cc1cc(C)nc(Sc2ccc(CNC(C)(C)C)cc2)c1.
What is the InChIKey of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is CLKDUMSGLNJTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13-10-14(2)20-17(11-13)21-16-8-6-15(7-9-16)12-19-18(3,4)5/h6-11,19H,12H2,1-5H3.
What are the key properties of N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102926160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).