1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone

C14H18FNO — CID 116607121

IUPAC1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
SMILESCC1(C(=O)Cc2cccc(F)c2)CCCC1N
InChIInChI=1S/C14H18FNO/c1-14(7-3-6-12(14)16)13(17)9-10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9,16H2,1H3
InChIKeyPPMDTYBSRQQFTP-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.45
Rot. Bonds3

About 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone

1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone (PubChem CID 116607121) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
PubChem CID116607121
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone
SMILESCC1(C(=O)Cc2cccc(F)c2)CCCC1N
InChIInChI=1S/C14H18FNO/c1-14(7-3-6-12(14)16)13(17)9-10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9,16H2,1H3
InChIKeyPPMDTYBSRQQFTP-UHFFFAOYSA-N
XLogP2.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
2-amino-N-(3-fluorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765588
1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone
CID 116607168
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
2-(3-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450824
2-(3-fluorophenyl)-1-(2-methylthiolan-2-yl)ethanone
CID 105080498
2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanone
CID 71582377
2-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
CID 82768565
2-(3-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanone
CID 116749228
(2-amino-1-methylcyclopentyl)-(3-propylphenyl)methanone
CID 116607279
1-(1-ethoxycyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116747889
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone (CID 116607121) is 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone is CC1(C(=O)Cc2cccc(F)c2)CCCC1N.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone?
The InChIKey is PPMDTYBSRQQFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-14(7-3-6-12(14)16)13(17)9-10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9,16H2,1H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone?
1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylcyclopentyl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 116607121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).