1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine

C8H9FN2O2 — CID 82669041

IUPAC1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C8H9FN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3
InChIKeyZOGRZPOYWXATAS-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.45
Rot. Bonds3

About 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine

1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine (PubChem CID 82669041) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
PubChem CID82669041
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
SMILESCNCc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C8H9FN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3
InChIKeyZOGRZPOYWXATAS-UHFFFAOYSA-N
XLogP1.45
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.45
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

1-(2-bromo-5-nitrophenyl)-N-methylmethanamine
CID 59315032
CID 90126367
CID 90126367
1-[(2-fluoro-5-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384410
2-(2-fluoro-5-nitrophenyl)acetaldehyde
CID 87087844
1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60888633
(2-fluoro-5-nitrophenyl)methyl-methylcarbamic acid
CID 122652855
N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 791677
1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide
CID 129030640
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
N-[(2,5-difluorophenyl)methyl]-1-(4-nitrophenyl)ethanamine
CID 63793388
1-(2-cyclohexyloxy-5-nitrophenyl)-N-methylmethanamine
CID 43472649
N-methyl-1-[5-nitro-2-(oxan-4-yloxy)phenyl]methanamine
CID 63937221

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine (CID 82669041) is 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine is CNCc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine?
The InChIKey is ZOGRZPOYWXATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-10-5-6-4-7(11(12)13)2-3-8(6)9/h2-4,10H,5H2,1H3.
What are the key properties of 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine?
1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine has a molecular weight of 184.17 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine is sourced from PubChem (CID 82669041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).