[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone

C15H20FNO2 — CID 103397138

IUPAC[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCCC2CN)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-19-11-6-7-13(14(16)8-11)15(18)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3
InChIKeyAZPPLLXVVNHKQP-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.78
Rot. Bonds4

About [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone

[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103397138) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103397138
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCCCC2CN)c(F)c1
InChIInChI=1S/C15H20FNO2/c1-19-11-6-7-13(14(16)8-11)15(18)12-5-3-2-4-10(12)9-17/h6-8,10,12H,2-5,9,17H2,1H3
InChIKeyAZPPLLXVVNHKQP-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]-(5-fluoro-2-methoxyphenyl)methanone
CID 116584688
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
CID 97063399
[(3S,4S)-3-(aminomethyl)-4-ethylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469644
[2-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 102877277
(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397139
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202
N-(2-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885408

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone (CID 103397138) is [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCCCC2CN)c(F)c1.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is AZPPLLXVVNHKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-19-11-6-7-13(14(16)8-11)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]-(2-fluoro-4-methoxyphenyl)methanone?
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-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]-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103397138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).