(2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one

C16H23Cl2NO — CID 129389098

IUPAC(2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one
SMILESCCC[C@H](CN(CC)CC)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-4-7-13(11-19(5-2)6-3)16(20)12-8-9-14(17)15(18)10-12/h8-10,13H,4-7,11H2,1-3H3/t13-/m1/s1
InChIKeyIKXYTHOXNDLHHG-CYBMUJFWSA-N
MW316.27 g/mol
LogP4.93
Rot. Bonds8

About (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one

(2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one (PubChem CID 129389098) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one.

Molecular Properties

Compound Name(2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one
PubChem CID129389098
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name(2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one
SMILESCCC[C@H](CN(CC)CC)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2NO/c1-4-7-13(11-19(5-2)6-3)16(20)12-8-9-14(17)15(18)10-12/h8-10,13H,4-7,11H2,1-3H3/t13-/m1/s1
InChIKeyIKXYTHOXNDLHHG-CYBMUJFWSA-N
XLogP4.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one 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

1-(3,4-dichlorophenyl)-2-(pyrrolidin-1-ylmethyl)pentan-1-one
CID 11566487
2-(3,4-dichlorobenzoyl)pentanenitrile
CID 79405268
2-amino-1-(3,4-dichlorophenyl)hexan-1-one
CID 116556832
1-(3,4-dichlorophenyl)-2-methylbutan-1-one
CID 43344477
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
3-amino-1-(3,4-dichlorophenyl)-2-methylpropan-1-one
CID 116564611
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
1-(3-chloro-4-iodophenyl)-2-methylpentan-1-one
CID 107891422
1-(3,4-dichlorophenyl)-2-(propylamino)propan-1-one
CID 82100707
4-(4-chloro-3-methylphenyl)-3-[[ethyl(2-hydroxyethyl)amino]methyl]-4-oxobutanoic acid
CID 82098871
1-(3,4-dichlorophenyl)-3-hydroxyhexan-2-one
CID 103453814
1-(3,4-dichlorophenyl)-4-methylhexan-1-one
CID 166727807

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one?
The IUPAC name of (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one (CID 129389098) is (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one.
What is the SMILES notation for (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one?
The canonical SMILES for (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one is CCC[C@H](CN(CC)CC)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one?
The InChIKey is IKXYTHOXNDLHHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-4-7-13(11-19(5-2)6-3)16(20)12-8-9-14(17)15(18)10-12/h8-10,13H,4-7,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one?
(2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one has a molecular weight of 316.27 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dichlorophenyl)-2-(diethylaminomethyl)pentan-1-one is sourced from PubChem (CID 129389098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).