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

C14H19FN2O2 — CID 112646785

IUPACN-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2cc(F)cc([N+](=O)[O-])c2)C1C
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-14(10(9)2)16-8-11-5-12(15)7-13(6-11)17(18)19/h5-7,9-10,14,16H,3-4,8H2,1-2H3
InChIKeyBYBYXXGQCNXZAA-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.26
Rot. Bonds4

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

N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 112646785) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID112646785
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC1CCC(NCc2cc(F)cc([N+](=O)[O-])c2)C1C
InChIInChI=1S/C14H19FN2O2/c1-9-3-4-14(10(9)2)16-8-11-5-12(15)7-13(6-11)17(18)19/h5-7,9-10,14,16H,3-4,8H2,1-2H3
InChIKeyBYBYXXGQCNXZAA-UHFFFAOYSA-N
XLogP3.26
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.26
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-methylcyclopentan-1-amine
CID 112646753
N-[(3-methoxy-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 81155477
N-[(3-fluoro-5-nitrophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 115980294
N-[(4-methoxy-3-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64908275
N-ethyl-2-[(3-fluoro-5-nitrophenyl)methyl]-4-methylcyclohexan-1-amine
CID 115980837
N-[(3-fluoro-5-nitrophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115980411
1-cyclopropyl-N-[(3-fluoro-5-nitrophenyl)methyl]pyrrolidin-3-amine
CID 115980416
[1-[(3-fluoro-5-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 115980440
1-(1-ethylpiperidin-4-yl)-N-[(3-fluoro-5-nitrophenyl)methyl]methanamine
CID 115980412
N-[(4-chloro-2-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine
CID 64907420
2-[[(3-fluoro-5-nitrophenyl)methylamino]methyl]cyclohexan-1-ol
CID 115980488
2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol
CID 112646656

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine (CID 112646785) is N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine is CC1CCC(NCc2cc(F)cc([N+](=O)[O-])c2)C1C.
What is the InChIKey of N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is BYBYXXGQCNXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-3-4-14(10(9)2)16-8-11-5-12(15)7-13(6-11)17(18)19/h5-7,9-10,14,16H,3-4,8H2,1-2H3.
What are the key properties of N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine?
N-[(3-fluoro-5-nitrophenyl)methyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 266.32 g/mol, XLogP of 3.26, 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]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 112646785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).