1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone

C14H17Cl2NO — CID 116557220

IUPAC1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO/c15-11-4-1-10(13(16)8-11)7-14(18)9-2-5-12(17)6-3-9/h1,4,8-9,12H,2-3,5-7,17H2
InChIKeyOBLHLUKLFAJTEJ-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.62
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone

1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone (PubChem CID 116557220) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
PubChem CID116557220
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
SMILESNC1CCC(C(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H17Cl2NO/c15-11-4-1-10(13(16)8-11)7-14(18)9-2-5-12(17)6-3-9/h1,4,8-9,12H,2-3,5-7,17H2
InChIKeyOBLHLUKLFAJTEJ-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105088329
N-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088261
2-(2-bromo-4-chlorophenyl)-1-cyclopropylethanone
CID 162682216
2-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 113289654
2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
CID 114097294
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanone
CID 65321510
1-(4-aminocyclohexyl)-2-(3,4-difluorophenyl)ethanone
CID 116557426
4-amino-N-(2,4-dichlorophenyl)cyclohexane-1-carboxamide
CID 54928746
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
(2,4-dichlorophenyl)methyl cyclobutanecarboxylate
CID 2374200
1-(4-aminocyclohexyl)-2-(4-hydroxyphenyl)ethanone
CID 116557390

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone (CID 116557220) is 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone is NC1CCC(C(=O)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone?
The InChIKey is OBLHLUKLFAJTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-11-4-1-10(13(16)8-11)7-14(18)9-2-5-12(17)6-3-9/h1,4,8-9,12H,2-3,5-7,17H2.
What are the key properties of 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone?
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 116557220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).