(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine

C14H12F2N2O2 — CID 43825521

IUPAC(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12F2N2O2/c1-8-4-10(6-11(5-8)18(19)20)14(17)9-2-3-12(15)13(16)7-9/h2-7,14H,17H2,1H3
InChIKeyFGTIODOHTNXLGT-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.23
Rot. Bonds3

About (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine

(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine (PubChem CID 43825521) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
PubChem CID43825521
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H12F2N2O2/c1-8-4-10(6-11(5-8)18(19)20)14(17)9-2-3-12(15)13(16)7-9/h2-7,14H,17H2,1H3
InChIKeyFGTIODOHTNXLGT-UHFFFAOYSA-N
XLogP3.23
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 53.23
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

(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825493
(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825498
(3-chloro-5-nitrophenyl)-(3,4-dimethylphenyl)methanamine
CID 43824984
(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825492
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine
CID 43825519
4-iodophosphanyl-1-(3-methyl-5-nitrophenyl)butan-1-amine
CID 142963025
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
1-chloro-1-(3-methyl-5-nitrophenyl)propan-2-one
CID 131400038
bis(3,5-dimethylphenyl)methanamine
CID 115796405

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine (CID 43825521) is (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine is Cc1cc(C(N)c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The InChIKey is FGTIODOHTNXLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8-4-10(6-11(5-8)18(19)20)14(17)9-2-3-12(15)13(16)7-9/h2-7,14H,17H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine has a molecular weight of 278.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).