1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine

C12H15FN2O3 — CID 64573109

IUPAC1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
SMILESNC1(COc2ccc(F)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H15FN2O3/c13-9-3-4-11(10(7-9)15(16)17)18-8-12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2
InChIKeyCBQRBVNUNMXRLO-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.38
Rot. Bonds4

About 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine

1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine (PubChem CID 64573109) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
PubChem CID64573109
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine
SMILESNC1(COc2ccc(F)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C12H15FN2O3/c13-9-3-4-11(10(7-9)15(16)17)18-8-12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2
InChIKeyCBQRBVNUNMXRLO-UHFFFAOYSA-N
XLogP2.38
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
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

1-[(4-iodo-2-nitrophenoxy)methyl]cyclopentan-1-amine
CID 66082541
1-[(4-methoxy-2-nitrophenoxy)methyl]cyclohexan-1-amine
CID 64572751
4-[(1-aminocyclopentyl)methoxy]-N-methyl-3-nitrobenzamide
CID 82993102
4-[(4-fluoro-2-nitrophenoxy)methyl]piperidin-4-ol
CID 81041016
2-[1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopropyl]acetic acid
CID 65498478
1-[(5-fluoro-2-nitrophenyl)methyl]cyclopentan-1-amine
CID 65020301
1-[(5-fluoro-2-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213300
1-[(2-iodo-4-nitrophenoxy)methyl]cyclohexan-1-amine
CID 66094336
1-[(2-methyl-4-nitrophenoxy)methyl]cycloheptan-1-amine
CID 64548981
1-[(5-fluoro-2-nitrophenyl)methyl]cyclobutan-1-amine
CID 65196630
1-[(4-methyl-5-nitro-2-pyridinyl)oxymethyl]cyclopentan-1-amine
CID 79177036
1-(3-bromopropoxy)-4-fluoro-2-nitrobenzene
CID 62368338

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine (CID 64573109) is 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine is NC1(COc2ccc(F)cc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine?
The InChIKey is CBQRBVNUNMXRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c13-9-3-4-11(10(7-9)15(16)17)18-8-12(14)5-1-2-6-12/h3-4,7H,1-2,5-6,8,14H2.
What are the key properties of 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine?
1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine has a molecular weight of 254.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-nitrophenoxy)methyl]cyclopentan-1-amine is sourced from PubChem (CID 64573109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).