1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone

C18H19NO — CID 170896197

IUPAC1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C18H19NO/c1-19(2)12-18(20)15-9-10-17-14(11-15)8-7-13-5-3-4-6-16(13)17/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyUWDRDBIMPWMKFG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.20
Rot. Bonds3

About 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone

1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone (PubChem CID 170896197) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone
PubChem CID170896197
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1ccc2c(c1)CCc1ccccc1-2
InChIInChI=1S/C18H19NO/c1-19(2)12-18(20)15-9-10-17-14(11-15)8-7-13-5-3-4-6-16(13)17/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyUWDRDBIMPWMKFG-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone 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 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone (CID 170896197) is 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)c1ccc2c(c1)CCc1ccccc1-2.
What is the InChIKey of 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone?
The InChIKey is UWDRDBIMPWMKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-19(2)12-18(20)15-9-10-17-14(11-15)8-7-13-5-3-4-6-16(13)17/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone?
1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone has a molecular weight of 265.36 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dihydrophenanthren-2-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 170896197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).