N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine

C12H13BrN2O — CID 43180998

IUPACN-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccc(Br)o1)c1ccncc1
InChIInChI=1S/C12H13BrN2O/c1-9(10-4-6-14-7-5-10)15-8-11-2-3-12(13)16-11/h2-7,9,15H,8H2,1H3
InChIKeyUJFXMHMNDIWJLI-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.29
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine

N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine (PubChem CID 43180998) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
PubChem CID43180998
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
SMILESCC(NCc1ccc(Br)o1)c1ccncc1
InChIInChI=1S/C12H13BrN2O/c1-9(10-4-6-14-7-5-10)15-8-11-2-3-12(13)16-11/h2-7,9,15H,8H2,1H3
InChIKeyUJFXMHMNDIWJLI-UHFFFAOYSA-N
XLogP3.29
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-iodofuran-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 43766842
N-[(5-bromofuran-2-yl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43223765
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81371270
methyl 5-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]furan-2-carboxylate
CID 81405878
(1R)-N-[(5-bromofuran-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682704
N-[(5-bromofuran-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43224333
2-[(5-bromofuran-2-yl)methylamino]propan-1-ol
CID 43499711
N-[(5-bromofuran-2-yl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225812
N-[(5-bromofuran-2-yl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61192981
N-[(5-bromofuran-2-yl)methyl]pentan-2-amine
CID 43177748
N-[(5-bromofuran-2-yl)methyl]-5-methylhexan-2-amine
CID 43181214
(1R)-N-[(5-methylthiophen-2-yl)methyl]-1-pyridin-4-ylethanamine
CID 28644855

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine (CID 43180998) is N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine is CC(NCc1ccc(Br)o1)c1ccncc1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
The InChIKey is UJFXMHMNDIWJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-9(10-4-6-14-7-5-10)15-8-11-2-3-12(13)16-11/h2-7,9,15H,8H2,1H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine has a molecular weight of 281.15 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 43180998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).