2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol

C11H13FN2O3 — CID 82315318

IUPAC2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cc(C(O)CNC2CC2)ccc1F
InChIInChI=1S/C11H13FN2O3/c12-9-4-1-7(5-10(9)14(16)17)11(15)6-13-8-2-3-8/h1,4-5,8,11,13,15H,2-3,6H2
InChIKeyRPFZWZMISLHIDB-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.52
Rot. Bonds5

About 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol

2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol (PubChem CID 82315318) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol
PubChem CID82315318
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1cc(C(O)CNC2CC2)ccc1F
InChIInChI=1S/C11H13FN2O3/c12-9-4-1-7(5-10(9)14(16)17)11(15)6-13-8-2-3-8/h1,4-5,8,11,13,15H,2-3,6H2
InChIKeyRPFZWZMISLHIDB-UHFFFAOYSA-N
XLogP1.52
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.52
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

3-[[2-(4-fluoro-3-nitrophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82315313
(3S)-3-(4-fluoro-3-nitrophenyl)-3-hydroxypropanoic acid
CID 95997423
2-[cyclohexyl(methyl)amino]-1-(4-fluoro-3-nitrophenyl)ethanol
CID 82216795
(1S)-1-(4-chloro-3-fluorophenyl)-2-(oxan-4-ylamino)ethanol
CID 97328969
(2S)-2-(4-fluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 131433935
3-[bis(2-methoxyethyl)amino]-1-(4-fluoro-3-nitrophenyl)propan-1-ol
CID 110830686
(4-fluoro-3-nitrophenyl)-methoxymethanol
CID 174484275
1-(4-fluorophenyl)-2-[(1-oxothian-4-yl)amino]ethanol
CID 113479901
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
1-(4-chlorophenyl)-2-[(4-methylcyclohexyl)amino]ethanol
CID 60724617
N-(4-fluoro-3-nitrophenyl)-1,1-dioxothian-4-amine
CID 43719371
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-nitrobenzamide
CID 55652813

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol?
The IUPAC name of 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol (CID 82315318) is 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol?
The canonical SMILES for 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol is O=[N+]([O-])c1cc(C(O)CNC2CC2)ccc1F.
What is the InChIKey of 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol?
The InChIKey is RPFZWZMISLHIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-9-4-1-7(5-10(9)14(16)17)11(15)6-13-8-2-3-8/h1,4-5,8,11,13,15H,2-3,6H2.
What are the key properties of 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol?
2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol has a molecular weight of 240.23 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(4-fluoro-3-nitrophenyl)ethanol is sourced from PubChem (CID 82315318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).