N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline

C12H16FN3O2 — CID 63887235

IUPACN-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
SMILESNCC1(Nc2cc(F)ccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H16FN3O2/c13-9-3-4-11(16(17)18)10(7-9)15-12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeySIDGNPPUQCCZPY-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.42
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline

N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline (PubChem CID 63887235) has the molecular formula C12H16FN3O2 and a molecular weight of 253.28 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
PubChem CID63887235
Molecular FormulaC12H16FN3O2
Molecular Weight253.28 g/mol
Exact Mass253.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
SMILESNCC1(Nc2cc(F)ccc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H16FN3O2/c13-9-3-4-11(16(17)18)10(7-9)15-12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2
InChIKeySIDGNPPUQCCZPY-UHFFFAOYSA-N
XLogP2.42
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(aminomethyl)cyclopentyl]-6-nitro-2,3-dihydro-1,4-benzodioxin-7-amine
CID 63886645
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-nitrobenzenesulfonamide
CID 63888008
1-[(5-fluoro-2-nitroanilino)methyl]cycloheptan-1-ol
CID 65122641
1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 65110529
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-5-nitroaniline
CID 63888625
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-nitrobenzenesulfonamide
CID 82844866
N-[1-(aminomethyl)cyclopentyl]-6-methyl-3-nitropyridin-2-amine
CID 81135916
[1-(5-bromo-2-nitroanilino)cyclohexyl]methanol
CID 65343189
N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
CID 114817805
1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine
CID 65020301
[1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutyl]methanamine
CID 65394864
5-chloro-N-(1-ethylcyclobutyl)-2-nitroaniline
CID 113488868

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline (CID 63887235) is N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline is NCC1(Nc2cc(F)ccc2[N+](=O)[O-])CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline?
The InChIKey is SIDGNPPUQCCZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O2/c13-9-3-4-11(16(17)18)10(7-9)15-12(8-14)5-1-2-6-12/h3-4,7,15H,1-2,5-6,8,14H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline?
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline has a molecular weight of 253.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline is sourced from PubChem (CID 63887235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).