[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone

C15H20FNO2 — CID 116584688

IUPAC[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCCC1CN
InChIInChI=1S/C15H20FNO2/c1-19-14-7-6-11(16)8-13(14)15(18)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3
InChIKeyJMQRTIIUDJMCEF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.78
Rot. Bonds4

About [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone

[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 116584688) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID116584688
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCCC1CN
InChIInChI=1S/C15H20FNO2/c1-19-14-7-6-11(16)8-13(14)15(18)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3
InChIKeyJMQRTIIUDJMCEF-UHFFFAOYSA-N
XLogP2.78
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
2-(2-ethylcyclohexyl)oxy-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43798165
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
2-cyclobutyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 103162387
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
2-(cyclopentylmethoxy)-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 66323732
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone (CID 116584688) is [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)C1CCCCC1CN.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is JMQRTIIUDJMCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-14-7-6-11(16)8-13(14)15(18)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone?
[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 265.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 116584688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).