1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol

C17H17ClFNO — CID 70520913

IUPAC1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol
SMILESCN(C)C1CC(O)(c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClFNO/c1-20(2)16-10-17(21,13-6-4-3-5-12(13)16)11-7-8-15(19)14(18)9-11/h3-9,16,21H,10H2,1-2H3
InChIKeyYQUMAMVRLURZRH-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.72
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol

1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol (PubChem CID 70520913) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol
PubChem CID70520913
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol
SMILESCN(C)C1CC(O)(c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C17H17ClFNO/c1-20(2)16-10-17(21,13-6-4-3-5-12(13)16)11-7-8-15(19)14(18)9-11/h3-9,16,21H,10H2,1-2H3
InChIKeyYQUMAMVRLURZRH-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-chloro-4-(trifluoromethyl)phenyl]-1-(9H-fluoren-9-yl)piperidin-4-ol
CID 53325240
6-chloro-3-(4-fluorophenyl)-1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2,3-dihydroinden-1-ol
CID 20277043
5-Fluoro-1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-ol
CID 20463007
3-Amino-1-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089596
3-Amino-1-[(2-chloro-3-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089635
3-Amino-1-[(3-chloro-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089643
3-Amino-1-(4-chloro-2-fluorophenyl)-2,3-dihydroinden-1-ol
CID 107089748
3-Amino-1-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089756
3-Amino-1-[(2-chloro-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089773
3-Amino-1-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089796
3-Amino-1-(2-chloro-5-fluorophenyl)-2,3-dihydroinden-1-ol
CID 107089798
3-Amino-1-[(2-chloro-5-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
CID 107089799

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol (CID 70520913) is 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol is CN(C)C1CC(O)(c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol?
The InChIKey is YQUMAMVRLURZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-20(2)16-10-17(21,13-6-4-3-5-12(13)16)11-7-8-15(19)14(18)9-11/h3-9,16,21H,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol?
1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol has a molecular weight of 305.78 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 70520913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).