10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one

C18H19NO — CID 145198732

IUPAC10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one
SMILESCC(C)Nc1cccc2c1C(C)c1ccccc1C2=O
InChIInChI=1S/C18H19NO/c1-11(2)19-16-10-6-9-15-17(16)12(3)13-7-4-5-8-14(13)18(15)20/h4-12,19H,1-3H3
InChIKeyYIOMJGQKLNLWIE-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.20
Rot. Bonds2

About 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one

10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one (PubChem CID 145198732) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one.

Molecular Properties

Compound Name10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one
PubChem CID145198732
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one
SMILESCC(C)Nc1cccc2c1C(C)c1ccccc1C2=O
InChIInChI=1S/C18H19NO/c1-11(2)19-16-10-6-9-15-17(16)12(3)13-7-4-5-8-14(13)18(15)20/h4-12,19H,1-3H3
InChIKeyYIOMJGQKLNLWIE-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one 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 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one?
The IUPAC name of 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one (CID 145198732) is 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one.
What is the SMILES notation for 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one?
The canonical SMILES for 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one is CC(C)Nc1cccc2c1C(C)c1ccccc1C2=O.
What is the InChIKey of 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one?
The InChIKey is YIOMJGQKLNLWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-11(2)19-16-10-6-9-15-17(16)12(3)13-7-4-5-8-14(13)18(15)20/h4-12,19H,1-3H3.
What are the key properties of 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one?
10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one has a molecular weight of 265.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-(propan-2-ylamino)-10H-anthracen-9-one is sourced from PubChem (CID 145198732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).