1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one

C15H21Cl2NO — CID 79062065

IUPAC1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C15H21Cl2NO/c1-5-15(6-2,18(3)4)14(19)10-11-7-8-12(16)13(17)9-11/h7-9H,5-6,10H2,1-4H3
InChIKeyIPXJCTTZMPELQT-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.23
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one

1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one (PubChem CID 79062065) has the molecular formula C15H21Cl2NO and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
PubChem CID79062065
Molecular FormulaC15H21Cl2NO
Molecular Weight302.25 g/mol
Exact Mass301.10
IUPAC Name1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one
SMILESCCC(CC)(C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C15H21Cl2NO/c1-5-15(6-2,18(3)4)14(19)10-11-7-8-12(16)13(17)9-11/h7-9H,5-6,10H2,1-4H3
InChIKeyIPXJCTTZMPELQT-UHFFFAOYSA-N
XLogP4.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
1-(4-chloro-3-fluorophenyl)-3-(dimethylamino)-3-methylpentan-2-one
CID 107884029
3-(3,4-dichlorophenyl)-2-(dimethylamino)-2-methylpropanoic acid
CID 11822623
1-(3,4-dichlorophenyl)-2-(diethylamino)-2-ethylbutan-1-one
CID 79061193
N-(3-carbamothioylpentan-3-yl)-2-(3,4-dichlorophenyl)acetamide
CID 63045274
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 8502117
3-(3,4-dichlorophenyl)-1-[diethylamino(phenyl)phosphoryl]-1,1-difluoropropan-2-one
CID 164665838
1-(4-chloro-3-fluorophenyl)-3-hydroxy-3-methylpentan-2-one
CID 107884147
N-[2-(3,4-dichlorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 163724477
1-(3,4-dichlorophenyl)-5-methylhex-5-en-2-one
CID 114473519
3-amino-1-(3,4-dichlorophenyl)pentan-2-one
CID 116583907
2-(3,4-dichlorophenyl)-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 95171569

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one (CID 79062065) is 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one is CCC(CC)(C(=O)Cc1ccc(Cl)c(Cl)c1)N(C)C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
The InChIKey is IPXJCTTZMPELQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-5-15(6-2,18(3)4)14(19)10-11-7-8-12(16)13(17)9-11/h7-9H,5-6,10H2,1-4H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one?
1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one has a molecular weight of 302.25 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(dimethylamino)-3-ethylpentan-2-one is sourced from PubChem (CID 79062065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).