2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine

C18H16N2O — CID 115856211

IUPAC2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cncc2ccccc12
InChIInChI=1S/C18H16N2O/c19-18(13-5-6-17-12(9-13)7-8-21-17)16-11-20-10-14-3-1-2-4-15(14)16/h1-6,9-11,18H,7-8,19H2
InChIKeyIRYFFCOYBLIBHZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.22
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine

2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine (PubChem CID 115856211) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine
PubChem CID115856211
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine
SMILESNC(c1ccc2c(c1)CCO2)c1cncc2ccccc12
InChIInChI=1S/C18H16N2O/c19-18(13-5-6-17-12(9-13)7-8-21-17)16-11-20-10-14-3-1-2-4-15(14)16/h1-6,9-11,18H,7-8,19H2
InChIKeyIRYFFCOYBLIBHZ-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
2,3-dihydro-1,4-benzodioxin-6-yl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 43119103
isoquinolin-4-yl-(2-methyl-4-pyridinyl)methanamine
CID 106755324
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 43198444
(S)-2,3-dihydro-1-benzofuran-5-yl(thiophen-2-yl)methanamine
CID 171202497
2,3-dihydro-1-benzofuran-5-yl(quinoxalin-6-yl)methanamine
CID 115604905
(5-chloro-2-pyridinyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 104542750
[4-(aminomethyl)phenyl]-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 116937080
5-[chloro(naphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430345
(2,3-dichlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 61026960

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine (CID 115856211) is 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine is NC(c1ccc2c(c1)CCO2)c1cncc2ccccc12.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine?
The InChIKey is IRYFFCOYBLIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-18(13-5-6-17-12(9-13)7-8-21-17)16-11-20-10-14-3-1-2-4-15(14)16/h1-6,9-11,18H,7-8,19H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine?
2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine has a molecular weight of 276.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(isoquinolin-4-yl)methanamine is sourced from PubChem (CID 115856211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).