2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine

C16H19BrN2OS — CID 64630836

IUPAC2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CSc2ncccc2Br)cc1
InChIInChI=1S/C16H19BrN2OS/c1-2-10-20-13-7-5-12(6-8-13)15(18)11-21-16-14(17)4-3-9-19-16/h3-9,15H,2,10-11,18H2,1H3
InChIKeyABENUIGBIJDQEX-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.43
Rot. Bonds7

About 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine

2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine (PubChem CID 64630836) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
PubChem CID64630836
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(N)CSc2ncccc2Br)cc1
InChIInChI=1S/C16H19BrN2OS/c1-2-10-20-13-7-5-12(6-8-13)15(18)11-21-16-14(17)4-3-9-19-16/h3-9,15H,2,10-11,18H2,1H3
InChIKeyABENUIGBIJDQEX-UHFFFAOYSA-N
XLogP4.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628453
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(3-fluorophenyl)ethanamine
CID 107525232
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64620813
2-[(3-chloro-2-pyridinyl)sulfanyl]-1-(4-propylphenyl)ethanamine
CID 64631081
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64650253
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
2-pentan-2-yloxy-1-(4-propoxyphenyl)ethanamine
CID 102981242
3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102558
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
CID 16795429

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine (CID 64630836) is 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(N)CSc2ncccc2Br)cc1.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine?
The InChIKey is ABENUIGBIJDQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-2-10-20-13-7-5-12(6-8-13)15(18)11-21-16-14(17)4-3-9-19-16/h3-9,15H,2,10-11,18H2,1H3.
What are the key properties of 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine?
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine has a molecular weight of 367.31 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 64630836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).