1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone

C15H19Cl2NO — CID 116584483

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c16-13-6-5-10(7-14(13)17)8-15(19)12-4-2-1-3-11(12)9-18/h5-7,11-12H,1-4,8-9,18H2
InChIKeyFUOCAMGPEZPOBK-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone

1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone (PubChem CID 116584483) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
PubChem CID116584483
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2NO/c16-13-6-5-10(7-14(13)17)8-15(19)12-4-2-1-3-11(12)9-18/h5-7,11-12H,1-4,8-9,18H2
InChIKeyFUOCAMGPEZPOBK-UHFFFAOYSA-N
XLogP3.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625
1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584628
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
1-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)ethanone
CID 116584689
1-(2-aminocyclopentyl)-2-(4-chloro-3-fluorophenyl)ethanone
CID 107890100
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
1-[2-(aminomethyl)cyclohexyl]-2-quinolin-2-ylethanone
CID 116584736
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
1-(7-azabicyclo[2.2.1]heptan-2-yl)-2-(3,4-dichlorophenyl)ethanone
CID 116575873
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
CID 106367187
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4-dichlorophenyl)ethanone;hydrochloride
CID 119468471

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone (CID 116584483) is 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone is NCC1CCCCC1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is FUOCAMGPEZPOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c16-13-6-5-10(7-14(13)17)8-15(19)12-4-2-1-3-11(12)9-18/h5-7,11-12H,1-4,8-9,18H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 300.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 116584483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).