N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine

C13H15BrN2O — CID 113454136

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cncc(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-10(5-13-3-2-4-17-13)16-8-11-6-12(14)9-15-7-11/h2-4,6-7,9-10,16H,5,8H2,1H3
InChIKeyWEEBIIJLOWQCFE-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.16
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 113454136) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
PubChem CID113454136
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine
SMILESCC(Cc1ccco1)NCc1cncc(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-10(5-13-3-2-4-17-13)16-8-11-6-12(14)9-15-7-11/h2-4,6-7,9-10,16H,5,8H2,1H3
InChIKeyWEEBIIJLOWQCFE-UHFFFAOYSA-N
XLogP3.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-3-pyridinyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 104796828
N-[(3-bromo-5-fluorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 79710171
N-[(3,5-dichlorophenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 54920089
N-[(4-bromothiophen-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432954
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
N-[(5-bromo-3-pyridinyl)methyl]-5-methylhexan-2-amine
CID 104796938
1-(furan-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43783131
1-(furan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 66398533
N-[1-(furan-2-yl)propan-2-yl]-5-methylpyridin-3-amine
CID 107584649
(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 51683296
3-N-[(5-bromo-3-pyridinyl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 104796826
2-N-[(5-bromo-3-pyridinyl)methyl]-1-N-tert-butylpropane-1,2-diamine
CID 113407504

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine (CID 113454136) is N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine?
The InChIKey is WEEBIIJLOWQCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-10(5-13-3-2-4-17-13)16-8-11-6-12(14)9-15-7-11/h2-4,6-7,9-10,16H,5,8H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine?
N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 295.18 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 113454136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).