5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one

C25H33ClN2O — CID 142261137

IUPAC5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one
SMILESCN(CCCCC(=O)c1ccc2c(c1)CC(N(C)C)C2)CCc1ccccc1Cl
InChIInChI=1S/C25H33ClN2O/c1-27(2)23-17-20-11-12-21(16-22(20)18-23)25(29)10-6-7-14-28(3)15-13-19-8-4-5-9-24(19)26/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17-18H2,1-3H3
InChIKeyOYZGWEJEOXRZFV-UHFFFAOYSA-N
MW413.01 g/mol
LogP4.90
Rot. Bonds10

About 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one

5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one (PubChem CID 142261137) has the molecular formula C25H33ClN2O and a molecular weight of 413.01 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one
PubChem CID142261137
Molecular FormulaC25H33ClN2O
Molecular Weight413.01 g/mol
Exact Mass412.23
IUPAC Name5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one
SMILESCN(CCCCC(=O)c1ccc2c(c1)CC(N(C)C)C2)CCc1ccccc1Cl
InChIInChI=1S/C25H33ClN2O/c1-27(2)23-17-20-11-12-21(16-22(20)18-23)25(29)10-6-7-14-28(3)15-13-19-8-4-5-9-24(19)26/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17-18H2,1-3H3
InChIKeyOYZGWEJEOXRZFV-UHFFFAOYSA-N
XLogP4.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.01
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-1,3-dimethyl-4H-quinazolin-2-one
CID 11704613
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]pentanoyl]-N-methyl-2,3-dihydro-1-benzofuran-7-sulfonamide;hydrochloride
CID 69217676
1-(2,3-dihydro-1-benzofuran-5-yl)-5-[2-(2-methoxyphenyl)ethyl-methylamino]pentan-1-one
CID 141068958
2-(dimethylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 105457500
5-(dimethylamino)-1-[7-[5-(dimethylamino)pentanoyl]-9H-fluoren-2-yl]pentan-1-one
CID 515308
5-[5-[2-(2-chlorophenyl)ethyl-methylamino]hexanoyl]-1,3-dimethylbenzimidazol-2-one
CID 11683356
1-chloro-6-[5-[methyl(2-phenylethyl)amino]pentanoyl]-3,4-dihydroquinazolin-2-one
CID 141068942
ethane;6-[5-[2-(2-fluorophenyl)ethyl-methylamino]pentanoyl]-4H-1,4-benzoxazin-3-one
CID 142261033
2-(2-chlorophenyl)ethyl-[5-oxo-5-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)pentyl]carbamic acid
CID 69221077
5-[5-[methyl(2-phenylethyl)amino]pentanoyl]-1,3-dihydrobenzimidazol-2-one
CID 11653229
2-(2-chlorophenyl)ethyl N-tert-butyl-N-[5-oxo-5-(7-sulfamoyl-2,3-dihydro-1H-inden-5-yl)pentyl]carbamate
CID 91566797
tert-butyl N-[2-(2-chlorophenyl)ethyl]-N-[6-[3-(methanesulfonamido)-4-methoxyphenyl]-6-oxohexyl]carbamate
CID 58737339

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one?
The IUPAC name of 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one (CID 142261137) is 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one is CN(CCCCC(=O)c1ccc2c(c1)CC(N(C)C)C2)CCc1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one?
The InChIKey is OYZGWEJEOXRZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O/c1-27(2)23-17-20-11-12-21(16-22(20)18-23)25(29)10-6-7-14-28(3)15-13-19-8-4-5-9-24(19)26/h4-5,8-9,11-12,16,23H,6-7,10,13-15,17-18H2,1-3H3.
What are the key properties of 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one?
5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one has a molecular weight of 413.01 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethyl-methylamino]-1-[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]pentan-1-one is sourced from PubChem (CID 142261137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).