1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine

C14H15BrN2O — CID 104801822

IUPAC1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
SMILESNC(COc1ccccc1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O/c15-11-6-7-13(17-9-11)8-12(16)10-18-14-4-2-1-3-5-14/h1-7,9,12H,8,10,16H2
InChIKeyPVFVTFQKSLPVCK-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.79
Rot. Bonds5

About 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine

1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine (PubChem CID 104801822) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
PubChem CID104801822
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine
SMILESNC(COc1ccccc1)Cc1ccc(Br)cn1
InChIInChI=1S/C14H15BrN2O/c15-11-6-7-13(17-9-11)8-12(16)10-18-14-4-2-1-3-5-14/h1-7,9,12H,8,10,16H2
InChIKeyPVFVTFQKSLPVCK-UHFFFAOYSA-N
XLogP2.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
1-(5-bromo-2-pyridinyl)-4-methoxybutan-2-amine
CID 104801563
1-(5-bromo-2-pyridinyl)-5,5,5-trifluoropentan-2-amine
CID 104803305
1-(5-bromo-2-pyridinyl)-3-pyridin-4-ylpropan-2-amine
CID 104801802
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-amine
CID 104802296
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126126
(2R)-1-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]-3-phenoxypropan-2-ol
CID 97316322
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-one
CID 104798819
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
1-(5-bromo-2-pyridinyl)-4-(furan-2-yl)butan-2-amine
CID 105180938
1-(5-bromo-2-pyridinyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 104801901

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine (CID 104801822) is 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine is NC(COc1ccccc1)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine?
The InChIKey is PVFVTFQKSLPVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-11-6-7-13(17-9-11)8-12(16)10-18-14-4-2-1-3-5-14/h1-7,9,12H,8,10,16H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine?
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine has a molecular weight of 307.19 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-amine is sourced from PubChem (CID 104801822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).