(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine

C12H13BrN2O — CID 125139906

IUPAC(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccco1)c1ccc(Br)cn1
InChIInChI=1S/C12H13BrN2O/c1-9(12-5-4-10(13)7-15-12)14-8-11-3-2-6-16-11/h2-7,9,14H,8H2,1H3/t9-/m1/s1
InChIKeyKWOAPUVRFDOBGJ-SECBINFHSA-N
MW281.15 g/mol
LogP3.29
Rot. Bonds4

About (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine

(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 125139906) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine
PubChem CID125139906
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1ccco1)c1ccc(Br)cn1
InChIInChI=1S/C12H13BrN2O/c1-9(12-5-4-10(13)7-15-12)14-8-11-3-2-6-16-11/h2-7,9,14H,8H2,1H3/t9-/m1/s1
InChIKeyKWOAPUVRFDOBGJ-SECBINFHSA-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

5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626659
N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624876
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
N-(furan-2-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 43754949
1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626620
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
5-bromo-3-chloro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 82489662
1-(5-fluoro-2-pyridinyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 83119707

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine (CID 125139906) is (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine is C[C@@H](NCc1ccco1)c1ccc(Br)cn1.
What is the InChIKey of (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is KWOAPUVRFDOBGJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-9(12-5-4-10(13)7-15-12)14-8-11-3-2-6-16-11/h2-7,9,14H,8H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine?
(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine 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 (1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 125139906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).