(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone

C20H19NO2 — CID 58759656

IUPAC(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1oc2cc3c(cc2c1N)CCCC3
InChIInChI=1S/C20H19NO2/c1-12-6-2-5-9-15(12)19(22)20-18(21)16-10-13-7-3-4-8-14(13)11-17(16)23-20/h2,5-6,9-11H,3-4,7-8,21H2,1H3
InChIKeyABJQINRENGANCC-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.43
Rot. Bonds2

About (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone

(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone (PubChem CID 58759656) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone
PubChem CID58759656
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1oc2cc3c(cc2c1N)CCCC3
InChIInChI=1S/C20H19NO2/c1-12-6-2-5-9-15(12)19(22)20-18(21)16-10-13-7-3-4-8-14(13)11-17(16)23-20/h2,5-6,9-11H,3-4,7-8,21H2,1H3
InChIKeyABJQINRENGANCC-UHFFFAOYSA-N
XLogP4.43
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone (CID 58759656) is (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1oc2cc3c(cc2c1N)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone?
The InChIKey is ABJQINRENGANCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-12-6-2-5-9-15(12)19(22)20-18(21)16-10-13-7-3-4-8-14(13)11-17(16)23-20/h2,5-6,9-11H,3-4,7-8,21H2,1H3.
What are the key properties of (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone?
(3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone has a molecular weight of 305.38 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 58759656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).