1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine

C12H15FN2O2 — CID 65020301

IUPAC1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine
SMILESNC1(Cc2cc(F)ccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H15FN2O2/c13-10-3-4-11(15(16)17)9(7-10)8-12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2
InChIKeyVNVUKHQDWINDCW-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.55
Rot. Bonds3

About 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine

1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine (PubChem CID 65020301) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine
PubChem CID65020301
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine
SMILESNC1(Cc2cc(F)ccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H15FN2O2/c13-10-3-4-11(15(16)17)9(7-10)8-12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2
InChIKeyVNVUKHQDWINDCW-UHFFFAOYSA-N
XLogP2.55
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.55
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

1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196630
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
1-[(5-fluoro-2-nitrophenyl)methyl]cyclohexane-1-carboxylic acid
CID 62739549
1-[(5-fluoro-2-nitrophenyl)methyl]cycloheptane-1-carbonitrile
CID 65390110
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 64573109
1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
CID 130160401
4-[(5-fluoro-2-nitrophenyl)methyl]oxane-4-carbonitrile
CID 65393754
3-[(5-chloro-2-nitrophenyl)methyl]oxan-3-amine
CID 113248967
3-(5-fluoro-2-nitrophenyl)propan-1-amine
CID 43445800
[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103966376
1-[2-(2-nitrophenyl)ethyl]cyclopentan-1-amine
CID 65020410
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
CID 63887235

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine (CID 65020301) is 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine is NC1(Cc2cc(F)ccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine?
The InChIKey is VNVUKHQDWINDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-4-11(15(16)17)9(7-10)8-12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2.
What are the key properties of 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine?
1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine has a molecular weight of 238.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 65020301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).