(7-bromo-1-benzofuran-2-yl)-phenylmethanamine

C15H12BrNO — CID 61391264

IUPAC(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H12BrNO/c16-12-8-4-7-11-9-13(18-15(11)12)14(17)10-5-2-1-3-6-10/h1-9,14H,17H2
InChIKeySAFQQZYLFIWZLM-UHFFFAOYSA-N
MW302.17 g/mol
LogP4.24
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-phenylmethanamine

(7-bromo-1-benzofuran-2-yl)-phenylmethanamine (PubChem CID 61391264) has the molecular formula C15H12BrNO and a molecular weight of 302.17 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
PubChem CID61391264
Molecular FormulaC15H12BrNO
Molecular Weight302.17 g/mol
Exact Mass301.01
IUPAC Name(7-bromo-1-benzofuran-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C15H12BrNO/c16-12-8-4-7-11-9-13(18-15(11)12)14(17)10-5-2-1-3-6-10/h1-9,14H,17H2
InChIKeySAFQQZYLFIWZLM-UHFFFAOYSA-N
XLogP4.24
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(7-bromo-1-benzofuran-2-yl)acetic acid
CID 82625533
1-(7-bromo-1-benzofuran-2-yl)-3-phenylpropan-1-amine
CID 105094359
(7-bromo-1-benzofuran-2-yl)-(4-bromo-2-chlorophenyl)methanamine
CID 82779597
(7-bromo-1-benzofuran-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 105146562
(7-bromo-1-benzofuran-2-yl)-(2,5-dichlorophenyl)methanamine
CID 63549150
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(7-bromo-1-benzofuran-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 105173757
(7-bromo-1-benzofuran-2-yl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105175597
1-(7-bromo-1-benzofuran-2-yl)-2-methoxyethanamine
CID 105165713
(7-bromo-1-benzofuran-2-yl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105174877
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-phenylmethanamine?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-phenylmethanamine (CID 61391264) is (7-bromo-1-benzofuran-2-yl)-phenylmethanamine.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-phenylmethanamine?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-phenylmethanamine is NC(c1ccccc1)c1cc2cccc(Br)c2o1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-phenylmethanamine?
The InChIKey is SAFQQZYLFIWZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO/c16-12-8-4-7-11-9-13(18-15(11)12)14(17)10-5-2-1-3-6-10/h1-9,14H,17H2.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-phenylmethanamine?
(7-bromo-1-benzofuran-2-yl)-phenylmethanamine has a molecular weight of 302.17 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-phenylmethanamine is sourced from PubChem (CID 61391264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).