N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine

C13H17FN2O2 — CID 112646753

IUPACN-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H17FN2O2/c1-9-3-2-4-13(9)15-8-10-5-11(14)7-12(6-10)16(17)18/h5-7,9,13,15H,2-4,8H2,1H3
InChIKeyMAAKENFHKATXMI-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.01
Rot. Bonds4

About N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine

N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 112646753) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID112646753
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC NameN-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C13H17FN2O2/c1-9-3-2-4-13(9)15-8-10-5-11(14)7-12(6-10)16(17)18/h5-7,9,13,15H,2-4,8H2,1H3
InChIKeyMAAKENFHKATXMI-UHFFFAOYSA-N
XLogP3.01
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 112646785
N-[(3-fluoro-5-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 115980294
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methylcycloheptan-1-amine
CID 115350673
2-methoxy-N-[(3-methoxy-5-nitrophenyl)methyl]cyclopentan-1-amine
CID 81154770
N-[(2-methoxy-5-nitrophenyl)methyl]-2-methylcyclohexan-1-amine
CID 2988984
[1-[(3-fluoro-5-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115980440
1-cyclopropyl-N-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-amine
CID 115980416
N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 81155477
2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 115980488
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837
2-[(3-fluoro-5-nitrophenyl)methylamino]propan-1-ol
CID 112646660
N-[(3-fluoro-5-nitrophenyl)methyl]piperidin-1-amine
CID 112646860

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine (CID 112646753) is N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is MAAKENFHKATXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9-3-2-4-13(9)15-8-10-5-11(14)7-12(6-10)16(17)18/h5-7,9,13,15H,2-4,8H2,1H3.
What are the key properties of N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 252.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-nitrophenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 112646753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).