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

C14H14BrFN2 — CID 104801584

IUPAC1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
SMILESNC(Cc1cncc(Br)c1)Cc1ccccc1F
InChIInChI=1S/C14H14BrFN2/c15-12-5-10(8-18-9-12)6-13(17)7-11-3-1-2-4-14(11)16/h1-5,8-9,13H,6-7,17H2
InChIKeyJZHZMXIGNKVFLR-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.10
Rot. Bonds4

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

1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine (PubChem CID 104801584) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
PubChem CID104801584
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
SMILESNC(Cc1cncc(Br)c1)Cc1ccccc1F
InChIInChI=1S/C14H14BrFN2/c15-12-5-10(8-18-9-12)6-13(17)7-11-3-1-2-4-14(11)16/h1-5,8-9,13H,6-7,17H2
InChIKeyJZHZMXIGNKVFLR-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-pyridinyl)-3-(2-chloro-4-fluorophenyl)propan-2-amine
CID 104801933
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
2-(5-bromo-3-pyridinyl)-1-(3-fluoro-4-pyridinyl)ethanamine
CID 113455102
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
2-(5-bromo-3-pyridinyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105036929
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
CID 104800043
1-(4-bromo-2-fluorophenyl)-2-(2-fluorophenyl)ethanamine
CID 61078893
1-(3-bromo-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 79708482
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802808

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine (CID 104801584) is 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine is NC(Cc1cncc(Br)c1)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
The InChIKey is JZHZMXIGNKVFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-12-5-10(8-18-9-12)6-13(17)7-11-3-1-2-4-14(11)16/h1-5,8-9,13H,6-7,17H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine?
1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine has a molecular weight of 309.18 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 104801584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).