(2-fluoro-4-methyl-5-nitrophenyl)methanamine

C8H9FN2O2 — CID 131056315

IUPAC(2-fluoro-4-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(F)c(CN)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O2/c1-5-2-7(9)6(4-10)3-8(5)11(12)13/h2-3H,4,10H2,1H3
InChIKeyJAAZMSFYMOSFHC-UHFFFAOYSA-N
MW184.17 g/mol
LogP1.50
Rot. Bonds2

About (2-fluoro-4-methyl-5-nitrophenyl)methanamine

(2-fluoro-4-methyl-5-nitrophenyl)methanamine (PubChem CID 131056315) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2-fluoro-4-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methyl-5-nitrophenyl)methanamine
PubChem CID131056315
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(2-fluoro-4-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(F)c(CN)cc1[N+](=O)[O-]
InChIInChI=1S/C8H9FN2O2/c1-5-2-7(9)6(4-10)3-8(5)11(12)13/h2-3H,4,10H2,1H3
InChIKeyJAAZMSFYMOSFHC-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

(2-iodo-4-methyl-5-nitrophenyl)methanamine
CID 171018323
2-(2-fluoro-4-methyl-5-nitrophenyl)acetonitrile
CID 130968367
2-(aminomethyl)-5-methyl-4-nitrobenzonitrile
CID 171024256
1-(chloromethyl)-2-fluoro-5-methyl-4-nitrobenzene
CID 67175932
methyl 4-(aminomethyl)-5-fluoro-2-nitrobenzoate
CID 67678167
3-amino-1-(2-fluoro-4-methyl-5-nitrophenyl)propane-1,2-diol
CID 170828689
1-ethyl-2,4-dimethyl-5-nitrobenzene
CID 20695705
[4-bromo-2-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417321
2-fluoro-4-methyl-5-nitrobenzonitrile
CID 59089198
[4-fluoro-5-nitro-2-(trifluoromethyl)phenyl]methanamine
CID 171015761
1-(bromomethyl)-2,4-dimethyl-5-nitrobenzene
CID 131011181
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (2-fluoro-4-methyl-5-nitrophenyl)methanamine (CID 131056315) is (2-fluoro-4-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (2-fluoro-4-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (2-fluoro-4-methyl-5-nitrophenyl)methanamine is Cc1cc(F)c(CN)cc1[N+](=O)[O-].
What is the InChIKey of (2-fluoro-4-methyl-5-nitrophenyl)methanamine?
The InChIKey is JAAZMSFYMOSFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-5-2-7(9)6(4-10)3-8(5)11(12)13/h2-3H,4,10H2,1H3.
What are the key properties of (2-fluoro-4-methyl-5-nitrophenyl)methanamine?
(2-fluoro-4-methyl-5-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 (2-fluoro-4-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 131056315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).