5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine

C15H16BrClN2O — CID 133380785

IUPAC5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
SMILESCOCCC(Nc1ccc(Br)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16BrClN2O/c1-20-9-8-14(11-2-5-13(17)6-3-11)19-15-7-4-12(16)10-18-15/h2-7,10,14H,8-9H2,1H3,(H,18,19)
InChIKeyHGNXQBLLTDMYLT-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.69
Rot. Bonds6

About 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine

5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine (PubChem CID 133380785) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
PubChem CID133380785
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine
SMILESCOCCC(Nc1ccc(Br)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16BrClN2O/c1-20-9-8-14(11-2-5-13(17)6-3-11)19-15-7-4-12(16)10-18-15/h2-7,10,14H,8-9H2,1H3,(H,18,19)
InChIKeyHGNXQBLLTDMYLT-UHFFFAOYSA-N
XLogP4.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine (CID 133380785) is 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine is COCCC(Nc1ccc(Br)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
The InChIKey is HGNXQBLLTDMYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c1-20-9-8-14(11-2-5-13(17)6-3-11)19-15-7-4-12(16)10-18-15/h2-7,10,14H,8-9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine?
5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine has a molecular weight of 355.66 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(4-chlorophenyl)-3-methoxypropyl]pyridin-2-amine is sourced from PubChem (CID 133380785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).