[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C16H20F3NO — CID 102756836

IUPAC[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1CN
InChIInChI=1S/C16H20F3NO/c1-10-8-12(16(17,18)19)6-7-13(10)15(21)14-5-3-2-4-11(14)9-20/h6-8,11,14H,2-5,9,20H2,1H3
InChIKeyDLFLAYOAKPOYQO-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.96
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone

[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102756836) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102756836
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1CN
InChIInChI=1S/C16H20F3NO/c1-10-8-12(16(17,18)19)6-7-13(10)15(21)14-5-3-2-4-11(14)9-20/h6-8,11,14H,2-5,9,20H2,1H3
InChIKeyDLFLAYOAKPOYQO-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(aminomethyl)cyclohexyl]-[3-(trifluoromethyl)phenyl]methanone
CID 116584636
[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
CID 116584561
(1,1-dioxothian-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757195
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
1,3-bis[2-methyl-4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 57301024
2-[1-(aminomethyl)cyclobutyl]-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 102756919
[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
(4-methoxy-2-methylphenyl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105084741
[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116584732

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102756836) is [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)C1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is DLFLAYOAKPOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-10-8-12(16(17,18)19)6-7-13(10)15(21)14-5-3-2-4-11(14)9-20/h6-8,11,14H,2-5,9,20H2,1H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 299.34 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102756836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).