(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine

C9H11FN2O3 — CID 11063781

IUPAC(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H11FN2O3/c1-15-5-8(11)6-2-3-9(12(13)14)7(10)4-6/h2-4,8H,5,11H2,1H3/t8-/m0/s1
InChIKeyAFMLYDNRRLDFQQ-QMMMGPOBSA-N
MW214.20 g/mol
LogP1.38
Rot. Bonds4

About (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine

(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine (PubChem CID 11063781) has the molecular formula C9H11FN2O3 and a molecular weight of 214.20 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine
PubChem CID11063781
Molecular FormulaC9H11FN2O3
Molecular Weight214.20 g/mol
Exact Mass214.08
IUPAC Name(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine
SMILESCOC[C@H](N)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C9H11FN2O3/c1-15-5-8(11)6-2-3-9(12(13)14)7(10)4-6/h2-4,8H,5,11H2,1H3/t8-/m0/s1
InChIKeyAFMLYDNRRLDFQQ-QMMMGPOBSA-N
XLogP1.38
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 51.38
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-fluoro-3-nitrophenyl)propan-1-amine
CID 55272353
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
(1S)-1-[4-(3-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370009
4-[(1S)-1-amino-2-methoxyethyl]-2,6-difluoroaniline
CID 131118509
2-fluoro-4-(4-methoxybutoxy)-1-nitrobenzene
CID 115777007
ethyl 2-(3-fluoro-4-nitrophenyl)-3-oxopropanoate
CID 143519036
(2R)-2-(3-fluoro-4-nitrophenyl)propanoic acid
CID 131301299
3-(3-fluoro-4-nitrophenyl)butan-2-one
CID 70847643
(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine
CID 125466594
(1R)-1-(4-fluoro-3-nitrophenyl)butane-1,4-diamine
CID 171206979
(2R)-2-amino-2-(4-fluoro-3-nitrophenyl)ethanol;hydrochloride
CID 171226598
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine (CID 11063781) is (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine is COC[C@H](N)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine?
The InChIKey is AFMLYDNRRLDFQQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11FN2O3/c1-15-5-8(11)6-2-3-9(12(13)14)7(10)4-6/h2-4,8H,5,11H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine?
(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine has a molecular weight of 214.20 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine is sourced from PubChem (CID 11063781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).