2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol

C10H13FN2O3 — CID 107348946

IUPAC2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H13FN2O3/c1-7(6-14)12-5-8-3-2-4-9(10(8)11)13(15)16/h2-4,7,12,14H,5-6H2,1H3
InChIKeyAAXWDCLURINIMM-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.20
Rot. Bonds5

About 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol

2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol (PubChem CID 107348946) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
PubChem CID107348946
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol
SMILESCC(CO)NCc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C10H13FN2O3/c1-7(6-14)12-5-8-3-2-4-9(10(8)11)13(15)16/h2-4,7,12,14H,5-6H2,1H3
InChIKeyAAXWDCLURINIMM-UHFFFAOYSA-N
XLogP1.20
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.20
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-fluoro-3-nitrophenyl)methylamino]-2-methylsulfanylbutan-1-ol
CID 106160682
N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
2-[(2-fluoro-3-nitrophenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 107349412
(1S)-1-cyclopentyl-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349341
3-[(2-fluoro-3-nitrophenyl)methylamino]propane-1,2-diol
CID 107349266
2-[(2,4-dinitrophenyl)methylamino]propan-1-ol
CID 66224134
3-[(2-fluoro-3-nitrophenyl)methylamino]-3-methylbutan-2-ol
CID 107349471
(1S)-1-(2-chlorophenyl)-N-[(2-fluoro-3-nitrophenyl)methyl]ethanamine
CID 107349336
2-cyclopropyl-2-[(2-fluoro-3-nitrophenyl)methylamino]acetic acid
CID 107350116
1-[(2-fluoro-3-nitrophenyl)methylamino]-2-methylpropan-2-ol
CID 107349234
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151
N-[(2-fluoro-3-nitrophenyl)methyl]-1-(5-methyl-1,3-oxazol-2-yl)ethanamine
CID 106388189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol (CID 107348946) is 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol is CC(CO)NCc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol?
The InChIKey is AAXWDCLURINIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-7(6-14)12-5-8-3-2-4-9(10(8)11)13(15)16/h2-4,7,12,14H,5-6H2,1H3.
What are the key properties of 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol?
2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol has a molecular weight of 228.22 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-nitrophenyl)methylamino]propan-1-ol is sourced from PubChem (CID 107348946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).