3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine

C15H16BrClN2 — CID 22270641

IUPAC3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1ccc(Br)cn1
InChIInChI=1S/C15H16BrClN2/c1-10(18)14(15-7-4-12(16)9-19-15)8-11-2-5-13(17)6-3-11/h2-7,9-10,14H,8,18H2,1H3
InChIKeyAQGWGZFZMILYFB-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.17
Rot. Bonds4

About 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine

3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine (PubChem CID 22270641) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine
PubChem CID22270641
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine
SMILESCC(N)C(Cc1ccc(Cl)cc1)c1ccc(Br)cn1
InChIInChI=1S/C15H16BrClN2/c1-10(18)14(15-7-4-12(16)9-19-15)8-11-2-5-13(17)6-3-11/h2-7,9-10,14H,8,18H2,1H3
InChIKeyAQGWGZFZMILYFB-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine (CID 22270641) is 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine is CC(N)C(Cc1ccc(Cl)cc1)c1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine?
The InChIKey is AQGWGZFZMILYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-10(18)14(15-7-4-12(16)9-19-15)8-11-2-5-13(17)6-3-11/h2-7,9-10,14H,8,18H2,1H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine?
3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine has a molecular weight of 339.66 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-4-(4-chlorophenyl)butan-2-amine is sourced from PubChem (CID 22270641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).