(3-fluoro-4-methyl-2-nitrophenyl)methanamine

C8H9FN2O2 — CID 130968438

IUPAC(3-fluoro-4-methyl-2-nitrophenyl)methanamine
SMILESCc1ccc(CN)c([N+](=O)[O-])c1F
InChIInChI=1S/C8H9FN2O2/c1-5-2-3-6(4-10)8(7(5)9)11(12)13/h2-3H,4,10H2,1H3
InChIKeyPFEIDUVEMDKYGQ-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.50
Rot. Bonds2

About (3-fluoro-4-methyl-2-nitrophenyl)methanamine

(3-fluoro-4-methyl-2-nitrophenyl)methanamine (PubChem CID 130968438) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (3-fluoro-4-methyl-2-nitrophenyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-4-methyl-2-nitrophenyl)methanamine
PubChem CID130968438
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(3-fluoro-4-methyl-2-nitrophenyl)methanamine
SMILESCc1ccc(CN)c([N+](=O)[O-])c1F
InChIInChI=1S/C8H9FN2O2/c1-5-2-3-6(4-10)8(7(5)9)11(12)13/h2-3H,4,10H2,1H3
InChIKeyPFEIDUVEMDKYGQ-UHFFFAOYSA-N
XLogP1.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 51.50
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-(chloromethyl)-3-fluoro-4-methyl-2-nitrobenzene
CID 130999829
methyl 2-(3-fluoro-4-methyl-2-nitrophenyl)acetate
CID 171030409
(3-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 131869126
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
1-(chloromethyl)-2,4-difluoro-3-nitrobenzene
CID 67924530
(2,4-difluoro-3-nitrophenyl)methanol
CID 118991228
(2-fluoro-4-methyl-5-nitrophenyl)methanamine
CID 131056315
1,2,4-trifluoro-5-methyl-3-nitrobenzene
CID 23616418
(2,4-dibromo-3-nitrophenyl)methanamine
CID 171015045
(3,4-dimethyl-2-nitrophenyl)methanol
CID 130867143
1-(chloromethyl)-2,4-dimethyl-3-nitrobenzene
CID 13265345
2-fluoro-4-methyl-3-nitrobenzaldehyde
CID 130767898

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methyl-2-nitrophenyl)methanamine?
The IUPAC name of (3-fluoro-4-methyl-2-nitrophenyl)methanamine (CID 130968438) is (3-fluoro-4-methyl-2-nitrophenyl)methanamine.
What is the SMILES notation for (3-fluoro-4-methyl-2-nitrophenyl)methanamine?
The canonical SMILES for (3-fluoro-4-methyl-2-nitrophenyl)methanamine is Cc1ccc(CN)c([N+](=O)[O-])c1F.
What is the InChIKey of (3-fluoro-4-methyl-2-nitrophenyl)methanamine?
The InChIKey is PFEIDUVEMDKYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5-2-3-6(4-10)8(7(5)9)11(12)13/h2-3H,4,10H2,1H3.
What are the key properties of (3-fluoro-4-methyl-2-nitrophenyl)methanamine?
(3-fluoro-4-methyl-2-nitrophenyl)methanamine has a molecular weight of 184.17 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methyl-2-nitrophenyl)methanamine is sourced from PubChem (CID 130968438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).