[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine

C23H23NO — CID 160654941

IUPAC[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccc(CN)cc3)C2)o1
InChIInChI=1S/C23H23NO/c1-14-10-19-11-20(22-9-4-15(2)25-22)12-21(19)23(16(14)3)18-7-5-17(13-24)6-8-18/h4-10,12H,11,13,24H2,1-3H3
InChIKeyACKCLESHTZKOKU-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.43
Rot. Bonds3

About [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine

[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine (PubChem CID 160654941) has the molecular formula C23H23NO and a molecular weight of 329.44 g/mol. Its IUPAC name is [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine
PubChem CID160654941
Molecular FormulaC23H23NO
Molecular Weight329.44 g/mol
Exact Mass329.18
IUPAC Name[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine
SMILESCc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccc(CN)cc3)C2)o1
InChIInChI=1S/C23H23NO/c1-14-10-19-11-20(22-9-4-15(2)25-22)12-21(19)23(16(14)3)18-7-5-17(13-24)6-8-18/h4-10,12H,11,13,24H2,1-3H3
InChIKeyACKCLESHTZKOKU-UHFFFAOYSA-N
XLogP5.43
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine?
The IUPAC name of [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine (CID 160654941) is [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine?
The canonical SMILES for [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine is Cc1ccc(C2=Cc3c(cc(C)c(C)c3-c3ccc(CN)cc3)C2)o1.
What is the InChIKey of [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine?
The InChIKey is ACKCLESHTZKOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO/c1-14-10-19-11-20(22-9-4-15(2)25-22)12-21(19)23(16(14)3)18-7-5-17(13-24)6-8-18/h4-10,12H,11,13,24H2,1-3H3.
What are the key properties of [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine?
[4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine has a molecular weight of 329.44 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5,6-dimethyl-2-(5-methylfuran-2-yl)-1H-inden-4-yl]phenyl]methanamine is sourced from PubChem (CID 160654941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).