1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine

C15H16BrFN2 — CID 75441618

IUPAC1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ncccc1F)c1ccccc1Br
InChIInChI=1S/C15H16BrFN2/c1-2-14(11-6-3-4-7-12(11)16)19-10-15-13(17)8-5-9-18-15/h3-9,14,19H,2,10H2,1H3
InChIKeyVMSGHFBGCRXWDR-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine

1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 75441618) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
PubChem CID75441618
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1ncccc1F)c1ccccc1Br
InChIInChI=1S/C15H16BrFN2/c1-2-14(11-6-3-4-7-12(11)16)19-10-15-13(17)8-5-9-18-15/h3-9,14,19H,2,10H2,1H3
InChIKeyVMSGHFBGCRXWDR-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine (CID 75441618) is 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine is CCC(NCc1ncccc1F)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is VMSGHFBGCRXWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-2-14(11-6-3-4-7-12(11)16)19-10-15-13(17)8-5-9-18-15/h3-9,14,19H,2,10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine?
1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 323.21 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-[(3-fluoro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 75441618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).