2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine

C17H21BrN2S — CID 64629635

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(CSc1ccc(Br)cn1)c1ccc(CC)cc1
InChIInChI=1S/C17H21BrN2S/c1-3-13-5-7-14(8-6-13)16(19-4-2)12-21-17-10-9-15(18)11-20-17/h5-11,16,19H,3-4,12H2,1-2H3
InChIKeyHLLVZGGWLIXREP-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.85
Rot. Bonds7

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine

2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine (PubChem CID 64629635) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine
PubChem CID64629635
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine
SMILESCCNC(CSc1ccc(Br)cn1)c1ccc(CC)cc1
InChIInChI=1S/C17H21BrN2S/c1-3-13-5-7-14(8-6-13)16(19-4-2)12-21-17-10-9-15(18)11-20-17/h5-11,16,19H,3-4,12H2,1-2H3
InChIKeyHLLVZGGWLIXREP-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64629426
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 64629634
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine
CID 64629033
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylethanamine
CID 64631470
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
[(5-bromo-2-pyridinyl)-(4-ethylphenyl)methyl]hydrazine
CID 105267871
4-[2-(5-bromo-2-pyridinyl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105181081
N-ethyl-1-(4-ethylphenyl)-2-(oxetan-3-ylsulfanyl)ethanamine
CID 79332301
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylbutan-1-amine
CID 64630232
2-[(5-bromo-2-pyridinyl)sulfanylmethyl]-3,3,3-trifluoropropan-1-amine
CID 103371691

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine (CID 64629635) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine is CCNC(CSc1ccc(Br)cn1)c1ccc(CC)cc1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine?
The InChIKey is HLLVZGGWLIXREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-3-13-5-7-14(8-6-13)16(19-4-2)12-21-17-10-9-15(18)11-20-17/h5-11,16,19H,3-4,12H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine?
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine has a molecular weight of 365.34 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 64629635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).