N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine

C18H24N2S — CID 64647741

IUPACN-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccn1)c1ccc(C)cc1C
InChIInChI=1S/C18H24N2S/c1-4-10-19-17(13-21-18-7-5-6-11-20-18)16-9-8-14(2)12-15(16)3/h5-9,11-12,17,19H,4,10,13H2,1-3H3
InChIKeyAZOPSGIEEOTUOW-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.53
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine

N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine (PubChem CID 64647741) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
PubChem CID64647741
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
SMILESCCCNC(CSc1ccccn1)c1ccc(C)cc1C
InChIInChI=1S/C18H24N2S/c1-4-10-19-17(13-21-18-7-5-6-11-20-18)16-9-8-14(2)12-15(16)3/h5-9,11-12,17,19H,4,10,13H2,1-3H3
InChIKeyAZOPSGIEEOTUOW-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105145212
N-[1-(2,4-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]propan-1-amine
CID 64621994
N-[1-(2-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64628229
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
N-[1-(2-methylphenyl)-2-pyrimidin-2-ylsulfanylethyl]propan-1-amine
CID 64649429
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
N-[1-(2,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621771
N-propyl-1-pyridin-2-ylsulfanylpropan-2-amine
CID 64647935
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
N-[2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethyl]propan-1-amine
CID 64630676
N-[1-(4-methylphenyl)-2-pyrazin-2-ylsulfanylethyl]propan-1-amine
CID 64626215

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine (CID 64647741) is N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine is CCCNC(CSc1ccccn1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine?
The InChIKey is AZOPSGIEEOTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-4-10-19-17(13-21-18-7-5-6-11-20-18)16-9-8-14(2)12-15(16)3/h5-9,11-12,17,19H,4,10,13H2,1-3H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine?
N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine has a molecular weight of 300.47 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine is sourced from PubChem (CID 64647741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).