3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine

C15H16BrFN2 — CID 19861088

IUPAC3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCc1cc(Br)cnc1C(CCN)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-10-8-12(16)9-19-15(10)14(6-7-18)11-2-4-13(17)5-3-11/h2-5,8-9,14H,6-7,18H2,1H3
InChIKeyWTBDMQCTEACHNS-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.77
Rot. Bonds4

About 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine

3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 19861088) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID19861088
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine
SMILESCc1cc(Br)cnc1C(CCN)c1ccc(F)cc1
InChIInChI=1S/C15H16BrFN2/c1-10-8-12(16)9-19-15(10)14(6-7-18)11-2-4-13(17)5-3-11/h2-5,8-9,14H,6-7,18H2,1H3
InChIKeyWTBDMQCTEACHNS-UHFFFAOYSA-N
XLogP3.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine (CID 19861088) is 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine is Cc1cc(Br)cnc1C(CCN)c1ccc(F)cc1.
What is the InChIKey of 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is WTBDMQCTEACHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10-8-12(16)9-19-15(10)14(6-7-18)11-2-4-13(17)5-3-11/h2-5,8-9,14H,6-7,18H2,1H3.
What are the key properties of 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine?
3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 323.21 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 19861088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).