(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine

C16H15BrN2O2 — CID 105175597

IUPAC(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C16H15BrN2O2/c1-2-20-12-6-11(8-19-9-12)15(18)14-7-10-4-3-5-13(17)16(10)21-14/h3-9,15H,2,18H2,1H3
InChIKeyBFTGIUCVPNBWIB-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.04
Rot. Bonds4

About (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine

(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine (PubChem CID 105175597) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
PubChem CID105175597
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
SMILESCCOc1cncc(C(N)c2cc3cccc(Br)c3o2)c1
InChIInChI=1S/C16H15BrN2O2/c1-2-20-12-6-11(8-19-9-12)15(18)14-7-10-4-3-5-13(17)16(10)21-14/h3-9,15H,2,18H2,1H3
InChIKeyBFTGIUCVPNBWIB-UHFFFAOYSA-N
XLogP4.04
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
CID 61391264
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649
(5-bromo-3-pyridinyl)-(7-chloro-1-benzofuran-2-yl)methanamine
CID 114730085
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
(2-bromo-3,4-difluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107538741
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine (CID 105175597) is (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine is CCOc1cncc(C(N)c2cc3cccc(Br)c3o2)c1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine?
The InChIKey is BFTGIUCVPNBWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-2-20-12-6-11(8-19-9-12)15(18)14-7-10-4-3-5-13(17)16(10)21-14/h3-9,15H,2,18H2,1H3.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine?
(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine has a molecular weight of 347.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105175597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).