1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone

C14H17Cl2NO — CID 116550553

IUPAC1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
SMILESNC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C14H17Cl2NO/c15-11-4-5-12(16)10(8-11)9-13(18)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2
InChIKeyKQYCOVRKSHCOJY-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.77
Rot. Bonds3

About 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone

1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone (PubChem CID 116550553) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
PubChem CID116550553
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
SMILESNC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCCC1
InChIInChI=1S/C14H17Cl2NO/c15-11-4-5-12(16)10(8-11)9-13(18)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2
InChIKeyKQYCOVRKSHCOJY-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cycloheptyl]-2-(2,5-dichlorophenyl)ethanone
CID 116602163
1-[1-(aminomethyl)cyclopropyl]-2-(2,5-dichlorophenyl)ethanone
CID 116601293
2-(2,5-dichlorophenyl)-1-(1-ethylcyclopentyl)ethanone
CID 114973866
(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512
1-(1-aminocyclopropyl)-2-(5-chloro-2-methoxyphenyl)ethanone
CID 116576466
1-[(2,5-dichlorophenyl)methyl]cyclobutan-1-amine
CID 65317862
1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
CID 116550631
1-[(2,5-dichlorophenyl)methyl]cyclopentan-1-ol
CID 65316755
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
2-(2,5-dichlorophenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982262
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone (CID 116550553) is 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone is NC1(C(=O)Cc2cc(Cl)ccc2Cl)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone?
The InChIKey is KQYCOVRKSHCOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-11-4-5-12(16)10(8-11)9-13(18)14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2.
What are the key properties of 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone?
1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone is sourced from PubChem (CID 116550553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).