2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine

C18H24N2S — CID 66347139

IUPAC2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(SCCc2ccccn2)c1
InChIInChI=1S/C18H24N2S/c1-18(2,3)20-14-15-7-6-9-17(13-15)21-12-10-16-8-4-5-11-19-16/h4-9,11,13,20H,10,12,14H2,1-3H3
InChIKeyGRQJTWJPGAGURI-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.30
Rot. Bonds6

About 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine

2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 66347139) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID66347139
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cccc(SCCc2ccccn2)c1
InChIInChI=1S/C18H24N2S/c1-18(2,3)20-14-15-7-6-9-17(13-15)21-12-10-16-8-4-5-11-19-16/h4-9,11,13,20H,10,12,14H2,1-3H3
InChIKeyGRQJTWJPGAGURI-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(3,3-dimethylbutylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 66347136
N-[[3-(2-fluoroethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 80694834
2-methyl-N-[[3-(3,3,3-trifluoropropylsulfanyl)phenyl]methyl]propan-2-amine
CID 66346953
2-methyl-N-[(3-pent-4-ynylsulfanylphenyl)methyl]propan-2-amine
CID 113374664
2-methyl-N-[[3-[(3-methyl-2-pyridinyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 115982471
4-[3-[(tert-butylamino)methyl]phenyl]sulfanyl-2,2-dimethylbutanenitrile
CID 66349283
2-methyl-N-[[3-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
CID 66346944
N-[[3-(methoxymethylsulfanyl)phenyl]methyl]-2-methylpropan-2-amine
CID 66347926
2-[2-(3,4-dichlorophenyl)sulfanylethyl]pyridine
CID 873007
2-methyl-N-[[3-[(3-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66349089
N-[[3-[(3-bromophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-2-amine
CID 66349679
2-methyl-N-[[6-(2-pyridin-2-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291494

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine (CID 66347139) is 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine is CC(C)(C)NCc1cccc(SCCc2ccccn2)c1.
What is the InChIKey of 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is GRQJTWJPGAGURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-18(2,3)20-14-15-7-6-9-17(13-15)21-12-10-16-8-4-5-11-19-16/h4-9,11,13,20H,10,12,14H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine?
2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 300.47 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-pyridin-2-ylethylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66347139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).