N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine

C18H24N2S — CID 80627993

IUPACN-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C18H24N2S/c1-5-19-12-14-6-11-17(20-13-14)21-16-9-7-15(8-10-16)18(2,3)4/h6-11,13,19H,5,12H2,1-4H3
InChIKeyAQBUTUVIJGPXML-UHFFFAOYSA-N
MW300.47 g/mol
LogP4.64
Rot. Bonds5

About N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine

N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine (PubChem CID 80627993) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
PubChem CID80627993
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C18H24N2S/c1-5-19-12-14-6-11-17(20-13-14)21-16-9-7-15(8-10-16)18(2,3)4/h6-11,13,19H,5,12H2,1-4H3
InChIKeyAQBUTUVIJGPXML-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methyl]ethanamine
CID 63805797
N-[[6-(4-propan-2-ylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639770
N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80639477
N-[[6-(4-fluorophenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80639944
N-methyl-1-(6-phenylsulfanyl-3-pyridinyl)methanamine
CID 79016211
2-methoxy-N-[[6-(4-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80628728
N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239647
N-methyl-1-(6-pyridin-4-ylsulfanyl-3-pyridinyl)methanamine
CID 80650935
N-[[6-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-2-amine
CID 80639848
2-methoxy-N-[(6-phenylsulfanyl-3-pyridinyl)methyl]ethanamine
CID 80639378
N-[[6-(3-methylphenyl)sulfanyl-3-pyridinyl]methyl]propan-1-amine
CID 80650829
N-[(2-tert-butylpyrimidin-5-yl)methyl]ethanamine
CID 62755323

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine (CID 80627993) is N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Sc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
The InChIKey is AQBUTUVIJGPXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-5-19-12-14-6-11-17(20-13-14)21-16-9-7-15(8-10-16)18(2,3)4/h6-11,13,19H,5,12H2,1-4H3.
What are the key properties of N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine?
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine has a molecular weight of 300.47 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 80627993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).