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

C15H16BrClN2S — CID 114866429

IUPAC1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1Sc1ncccc1Br
InChIInChI=1S/C15H16BrClN2S/c1-2-12(18)8-10-5-6-11(17)9-14(10)20-15-13(16)4-3-7-19-15/h3-7,9,12H,2,8,18H2,1H3
InChIKeyDLNPOUOJLAUYAJ-UHFFFAOYSA-N
MW371.73 g/mol
LogP4.93
Rot. Bonds5

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

1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine (PubChem CID 114866429) has the molecular formula C15H16BrClN2S and a molecular weight of 371.73 g/mol. Its IUPAC name is 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
PubChem CID114866429
Molecular FormulaC15H16BrClN2S
Molecular Weight371.73 g/mol
Exact Mass369.99
IUPAC Name1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine
SMILESCCC(N)Cc1ccc(Cl)cc1Sc1ncccc1Br
InChIInChI=1S/C15H16BrClN2S/c1-2-12(18)8-10-5-6-11(17)9-14(10)20-15-13(16)4-3-7-19-15/h3-7,9,12H,2,8,18H2,1H3
InChIKeyDLNPOUOJLAUYAJ-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-[2-[(3-bromo-2-pyridinyl)sulfanyl]-5-chlorophenyl]propan-2-amine
CID 114866424
2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chloroaniline
CID 115469551
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]butan-2-amine
CID 81160339
1-[2-(4-bromophenyl)sulfanyl-4-chlorophenyl]butan-2-amine
CID 114866171
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866455
1-[2-(2-chlorophenyl)sulfanyl-3-pyridinyl]butan-2-amine
CID 103694453
1-(2-bromo-3-pyridinyl)butan-2-amine;hydrochloride
CID 170889228
1-[4-[(3-bromo-2-pyridinyl)sulfanyl]-3-chlorophenyl]propan-2-amine
CID 81160448
1-[2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 63817901
2-[4-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]phenyl]ethanamine
CID 114866444
1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]phenyl]butan-2-amine
CID 106927175

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine?
The IUPAC name of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine (CID 114866429) is 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine is CCC(N)Cc1ccc(Cl)cc1Sc1ncccc1Br.
What is the InChIKey of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine?
The InChIKey is DLNPOUOJLAUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2S/c1-2-12(18)8-10-5-6-11(17)9-14(10)20-15-13(16)4-3-7-19-15/h3-7,9,12H,2,8,18H2,1H3.
What are the key properties of 1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine?
1-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-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-[2-[(3-bromo-2-pyridinyl)sulfanyl]-4-chlorophenyl]butan-2-amine is sourced from PubChem (CID 114866429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).