1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine

C15H16BrClN2S — CID 81160339

IUPAC1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ncccc2Br)c(Cl)c1
InChIInChI=1S/C15H16BrClN2S/c1-2-11(18)8-10-5-6-14(13(17)9-10)20-15-12(16)4-3-7-19-15/h3-7,9,11H,2,8,18H2,1H3
InChIKeySXUJFUODZSXVII-UHFFFAOYSA-N
MW371.73 g/mol
LogP4.93
Rot. Bonds5

About 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine

1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine (PubChem CID 81160339) has the molecular formula C15H16BrClN2S and a molecular weight of 371.73 g/mol. Its IUPAC name is 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine
PubChem CID81160339
Molecular FormulaC15H16BrClN2S
Molecular Weight371.73 g/mol
Exact Mass369.99
IUPAC Name1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Sc2ncccc2Br)c(Cl)c1
InChIInChI=1S/C15H16BrClN2S/c1-2-11(18)8-10-5-6-14(13(17)9-10)20-15-12(16)4-3-7-19-15/h3-7,9,11H,2,8,18H2,1H3
InChIKeySXUJFUODZSXVII-UHFFFAOYSA-N
XLogP4.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]propan-2-amine
CID 81160448
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
CID 114866429
1-[3-chloro-4-(4-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 81160027
1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 103694453
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine
CID 114866424
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
1-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]butan-2-amine
CID 81159584
1-[4-(2-bromophenoxy)-3-chlorophenyl]butan-2-amine
CID 81165959
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chloroaniline
CID 115469551
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
1-[3-chloro-4-[(3-methylphenyl)methylsulfanyl]phenyl]butan-2-amine
CID 81159544
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine?
The IUPAC name of 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine (CID 81160339) is 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine.
What is the SMILES notation for 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine?
The canonical SMILES for 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine is CCC(N)Cc1ccc(Sc2ncccc2Br)c(Cl)c1.
What is the InChIKey of 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine?
The InChIKey is SXUJFUODZSXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2S/c1-2-11(18)8-10-5-6-14(13(17)9-10)20-15-12(16)4-3-7-19-15/h3-7,9,11H,2,8,18H2,1H3.
What are the key properties of 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine?
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine has a molecular weight of 371.73 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine is sourced from PubChem (CID 81160339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).