(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone

C13H16FNO2 — CID 103397145

IUPAC(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(N)C2)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-17-10-4-5-11(12(14)7-10)13(16)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3
InChIKeyNIFYOQWUVHGZGT-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.14
Rot. Bonds3

About (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone

(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 103397145) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID103397145
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCC(N)C2)c(F)c1
InChIInChI=1S/C13H16FNO2/c1-17-10-4-5-11(12(14)7-10)13(16)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3
InChIKeyNIFYOQWUVHGZGT-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-fluoro-4-methoxyphenyl)-(4-methylcyclohexyl)methanone
CID 81304901
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
(4-aminocyclopent-2-en-1-yl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397139
N-[(3-aminocyclohexyl)methyl]-2-fluoro-4-methoxybenzamide
CID 106123955
N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 103807666
(2-fluoro-4-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176454
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
N-(4-aminocyclohexyl)-2-fluoro-4-(2-fluoro-4-methoxyphenyl)benzamide
CID 119476668
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103715025
(2,5-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975483
[3-(aminomethyl)pyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 113265524

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone (CID 103397145) is (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCC(N)C2)c(F)c1.
What is the InChIKey of (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is NIFYOQWUVHGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-10-4-5-11(12(14)7-10)13(16)8-2-3-9(15)6-8/h4-5,7-9H,2-3,6,15H2,1H3.
What are the key properties of (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone?
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 237.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 103397145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).