(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine

C11H13FN2O2 — CID 171205959

IUPAC(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine
SMILESN[C@H](CC1CC1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H13FN2O2/c12-10-4-3-8(14(15)16)6-9(10)11(13)5-7-1-2-7/h3-4,6-7,11H,1-2,5,13H2/t11-/m1/s1
InChIKeyLDYFIYKIKNFQJR-LLVKDONJSA-N
MW224.24 g/mol
LogP2.53
Rot. Bonds4

About (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine

(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine (PubChem CID 171205959) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine
PubChem CID171205959
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine
SMILESN[C@H](CC1CC1)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C11H13FN2O2/c12-10-4-3-8(14(15)16)6-9(10)11(13)5-7-1-2-7/h3-4,6-7,11H,1-2,5,13H2/t11-/m1/s1
InChIKeyLDYFIYKIKNFQJR-LLVKDONJSA-N
XLogP2.53
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.53
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

(1S)-1-(2-fluoro-5-nitrophenyl)but-3-en-1-amine
CID 171225529
(S)-cyclopentyl-(2-fluoro-5-nitrophenyl)methanamine;hydrochloride
CID 171225548
3-amino-3-(2-fluoro-5-nitrophenyl)propan-1-ol;hydrochloride
CID 170874535
(1R)-1-(2-fluoro-5-nitrophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205958
(1S)-1-(2-fluoro-5-nitrophenyl)pent-4-en-1-amine;hydrochloride
CID 171225556
(1R)-4,4,4-trifluoro-1-(2-fluoro-5-nitrophenyl)butan-1-amine;hydrochloride
CID 171205964
(1R)-1-(2-fluoro-5-nitrophenyl)hexan-1-amine
CID 171205955
(1S)-2,2,2-trifluoro-1-(2-fluoro-5-nitrophenyl)ethanamine
CID 66511161
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
CID 66514219
(3S)-3-amino-3-(2-fluoro-5-nitrophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171241616
2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
CID 130820768

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine (CID 171205959) is (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine is N[C@H](CC1CC1)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine?
The InChIKey is LDYFIYKIKNFQJR-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-4-3-8(14(15)16)6-9(10)11(13)5-7-1-2-7/h3-4,6-7,11H,1-2,5,13H2/t11-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine?
(1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine has a molecular weight of 224.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(2-fluoro-5-nitrophenyl)ethanamine is sourced from PubChem (CID 171205959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).