(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine

C17H17BrN2O — CID 81392904

IUPAC(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(N[C@@H](C)c1ccccn1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H17BrN2O/c1-11(15-5-3-4-8-19-15)20-12(2)17-10-13-9-14(18)6-7-16(13)21-17/h3-12,20H,1-2H3/t11-,12?/m0/s1
InChIKeyVORRIAZINLRLFS-PXYINDEMSA-N
MW345.24 g/mol
LogP5.00
Rot. Bonds4

About (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine

(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 81392904) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine
PubChem CID81392904
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(N[C@@H](C)c1ccccn1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C17H17BrN2O/c1-11(15-5-3-4-8-19-15)20-12(2)17-10-13-9-14(18)6-7-16(13)21-17/h3-12,20H,1-2H3/t11-,12?/m0/s1
InChIKeyVORRIAZINLRLFS-PXYINDEMSA-N
XLogP5.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.24
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]but-3-yn-2-amine
CID 114414981
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-methylpentan-2-amine
CID 43371885
(1R)-1-(5-chloro-1-benzofuran-2-yl)-N-[(1R)-1-pyrazin-2-ylethyl]ethanamine
CID 97101491
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749723
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
3-bromo-N-(1-pyridin-2-ylethyl)aniline
CID 43194583
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43121364
[(5-methyl-1-benzofuran-2-yl)-pyridin-2-ylmethyl]hydrazine
CID 105195743
(1R)-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-pyridin-2-ylethanamine
CID 81407675
4-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]phenol
CID 43742780

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine (CID 81392904) is (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine is CC(N[C@@H](C)c1ccccn1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is VORRIAZINLRLFS-PXYINDEMSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11(15-5-3-4-8-19-15)20-12(2)17-10-13-9-14(18)6-7-16(13)21-17/h3-12,20H,1-2H3/t11-,12?/m0/s1.
What are the key properties of (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine?
(1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 345.24 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81392904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).