3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine

C14H14Br2N2O — CID 113413693

IUPAC3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
SMILESBrc1cnc(NCCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14Br2N2O/c15-11-9-13(16)14(18-10-11)17-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,17,18)
InChIKeyBWHTWQMVDKDSGH-UHFFFAOYSA-N
MW386.09 g/mol
LogP4.49
Rot. Bonds6

About 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine

3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine (PubChem CID 113413693) has the molecular formula C14H14Br2N2O and a molecular weight of 386.09 g/mol. Its IUPAC name is 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
PubChem CID113413693
Molecular FormulaC14H14Br2N2O
Molecular Weight386.09 g/mol
Exact Mass383.95
IUPAC Name3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
SMILESBrc1cnc(NCCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H14Br2N2O/c15-11-9-13(16)14(18-10-11)17-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,17,18)
InChIKeyBWHTWQMVDKDSGH-UHFFFAOYSA-N
XLogP4.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.09
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
CID 105366850
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
N-benzyl-3-[(3,5-dibromo-2-pyridinyl)oxy]propan-1-amine
CID 114783230
3,5-dibromo-N-(2-propan-2-yloxyethyl)pyridin-2-amine
CID 104762434
5-bromo-N-(3-phenoxypropyl)-1,3,4-thiadiazol-2-amine
CID 64622861
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
sodium 3-[(3,5-dibromo-2-pyridinyl)amino]propane-1-sulfonate
CID 102278742
N-[2-(3-aminophenoxy)ethyl]-5-bromo-3-chloropyridin-2-amine
CID 103582766
5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
CID 63488219
N-[1-(2,4-dibromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 63478861
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine?
The IUPAC name of 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine (CID 113413693) is 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine.
What is the SMILES notation for 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine?
The canonical SMILES for 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine is Brc1cnc(NCCCOc2ccccc2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine?
The InChIKey is BWHTWQMVDKDSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O/c15-11-9-13(16)14(18-10-11)17-7-4-8-19-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8H2,(H,17,18).
What are the key properties of 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine?
3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine has a molecular weight of 386.09 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine is sourced from PubChem (CID 113413693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).