1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone

C15H19ClFNO — CID 116584628

IUPAC1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO/c16-14-8-12(17)6-5-10(14)7-15(19)13-4-2-1-3-11(13)9-18/h5-6,8,11,13H,1-4,7,9,18H2
InChIKeyQYWZCHCSRYOSER-UHFFFAOYSA-N
MW283.77 g/mol
LogP3.36
Rot. Bonds4

About 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone

1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone (PubChem CID 116584628) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
PubChem CID116584628
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone
SMILESNCC1CCCCC1C(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H19ClFNO/c16-14-8-12(17)6-5-10(14)7-15(19)13-4-2-1-3-11(13)9-18/h5-6,8,11,13H,1-4,7,9,18H2
InChIKeyQYWZCHCSRYOSER-UHFFFAOYSA-N
XLogP3.36
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
1-[2-(aminomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)ethanone
CID 116584483
1-(2-aminocycloheptyl)-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622181
[2-[(2-chloro-4-fluorophenyl)methyl]cyclopentyl]methanamine
CID 81010671
1-[2-(aminomethyl)cyclopentyl]-2-(2,3-dichlorophenyl)ethanone
CID 107311389
1-[2-(aminomethyl)cyclohexyl]-2-(3-bromo-5-fluorophenyl)ethanone
CID 116584544
1-[2-(aminomethyl)cyclohexyl]-2-(3-hydroxyphenyl)ethanone
CID 116584506
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584926
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone (CID 116584628) is 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone is NCC1CCCCC1C(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone?
The InChIKey is QYWZCHCSRYOSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO/c16-14-8-12(17)6-5-10(14)7-15(19)13-4-2-1-3-11(13)9-18/h5-6,8,11,13H,1-4,7,9,18H2.
What are the key properties of 1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone?
1-[2-(aminomethyl)cyclohexyl]-2-(2-chloro-4-fluorophenyl)ethanone has a molecular weight of 283.77 g/mol, XLogP of 3.36, 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-(2-chloro-4-fluorophenyl)ethanone is sourced from PubChem (CID 116584628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).