(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone

C13H16FNO — CID 116558686

IUPAC(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)C1(N)CCCC1
InChIInChI=1S/C13H16FNO/c1-9-4-5-10(14)8-11(9)12(16)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyRWMNFGUZQMPTQM-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.59
Rot. Bonds2

About (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone

(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 116558686) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID116558686
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCc1ccc(F)cc1C(=O)C1(N)CCCC1
InChIInChI=1S/C13H16FNO/c1-9-4-5-10(14)8-11(9)12(16)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3
InChIKeyRWMNFGUZQMPTQM-UHFFFAOYSA-N
XLogP2.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
(1-aminocyclopentyl)-(2,4,5-trimethylphenyl)methanone
CID 116558695
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63182121
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793
(1-amino-3-methylcyclohexyl)-(2,4-difluorophenyl)methanone
CID 116579252
(1Z)-1-(5-fluoro-2-methylphenyl)-1-hydrazinylidenepropan-2-one
CID 142023761
(1-aminocyclobutyl)-(2-chloro-5-methylphenyl)methanone
CID 130631204
(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
CID 116558705
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106882968

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone (CID 116558686) is (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone is Cc1ccc(F)cc1C(=O)C1(N)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is RWMNFGUZQMPTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-4-5-10(14)8-11(9)12(16)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3.
What are the key properties of (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone?
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 116558686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).