(3-phenyl-1-benzofuran-6-yl)methanamine

C15H13NO — CID 84688401

IUPAC(3-phenyl-1-benzofuran-6-yl)methanamine
SMILESNCc1ccc2c(-c3ccccc3)coc2c1
InChIInChI=1S/C15H13NO/c16-9-11-6-7-13-14(10-17-15(13)8-11)12-4-2-1-3-5-12/h1-8,10H,9,16H2
InChIKeyVVNYTQFQUSMYHP-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.56
Rot. Bonds2

About (3-phenyl-1-benzofuran-6-yl)methanamine

(3-phenyl-1-benzofuran-6-yl)methanamine (PubChem CID 84688401) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is (3-phenyl-1-benzofuran-6-yl)methanamine.

Molecular Properties

Compound Name(3-phenyl-1-benzofuran-6-yl)methanamine
PubChem CID84688401
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name(3-phenyl-1-benzofuran-6-yl)methanamine
SMILESNCc1ccc2c(-c3ccccc3)coc2c1
InChIInChI=1S/C15H13NO/c16-9-11-6-7-13-14(10-17-15(13)8-11)12-4-2-1-3-5-12/h1-8,10H,9,16H2
InChIKeyVVNYTQFQUSMYHP-UHFFFAOYSA-N
XLogP3.56
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-diphenylphenyl)methanamine
CID 174401792
2-[3-(4-fluorophenyl)-1-benzofuran-6-yl]acetic acid
CID 21447390
(4-chloro-3-phenylphenyl)methanamine
CID 39231703
3,5-diphenyl-1-benzofuran
CID 66988357
4-[3-(aminomethyl)phenyl]-7-(hydroxymethyl)chromen-2-one
CID 151608759
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962
7-(hydroxymethyl)-3-[4-(hydroxymethyl)phenyl]chromen-4-one
CID 58402386
7-(aminomethyl)-4-(4-fluorophenyl)chromen-2-one
CID 46845380
(6-phenyl-1-benzofuran-3-yl)methanol
CID 22062787
(2,6-diphenylphenyl)methanamine
CID 72713892
6-benzyl-3-phenylfuro[3,2-b]pyridine
CID 171471568
10-phenyl-[1]benzofuro[6,5-c]isochromen-5-one
CID 707803

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-benzofuran-6-yl)methanamine?
The IUPAC name of (3-phenyl-1-benzofuran-6-yl)methanamine (CID 84688401) is (3-phenyl-1-benzofuran-6-yl)methanamine.
What is the SMILES notation for (3-phenyl-1-benzofuran-6-yl)methanamine?
The canonical SMILES for (3-phenyl-1-benzofuran-6-yl)methanamine is NCc1ccc2c(-c3ccccc3)coc2c1.
What is the InChIKey of (3-phenyl-1-benzofuran-6-yl)methanamine?
The InChIKey is VVNYTQFQUSMYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-9-11-6-7-13-14(10-17-15(13)8-11)12-4-2-1-3-5-12/h1-8,10H,9,16H2.
What are the key properties of (3-phenyl-1-benzofuran-6-yl)methanamine?
(3-phenyl-1-benzofuran-6-yl)methanamine has a molecular weight of 223.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-benzofuran-6-yl)methanamine is sourced from PubChem (CID 84688401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).