(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine

C14H12F2N2O2 — CID 43825297

IUPAC(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
SMILESCc1ccc([N+](=O)[O-])cc1C(N)c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O2/c1-8-5-6-9(18(19)20)7-10(8)14(17)13-11(15)3-2-4-12(13)16/h2-7,14H,17H2,1H3
InChIKeyNTZKMIKUAORECF-UHFFFAOYSA-N
MW278.26 g/mol
LogP3.23
Rot. Bonds3

About (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine

(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine (PubChem CID 43825297) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
PubChem CID43825297
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
SMILESCc1ccc([N+](=O)[O-])cc1C(N)c1c(F)cccc1F
InChIInChI=1S/C14H12F2N2O2/c1-8-5-6-9(18(19)20)7-10(8)14(17)13-11(15)3-2-4-12(13)16/h2-7,14H,17H2,1H3
InChIKeyNTZKMIKUAORECF-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

(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825087
(2-methyl-5-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43825315
(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825316
(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
CID 43825641
ethane;1-methyl-4-nitro-2-propan-2-ylbenzene
CID 143798410
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
2-[(1S)-1-chloroethyl]-1-methyl-4-nitrobenzene
CID 97184321
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307
(1R)-1-(2-fluoro-5-nitrophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205958
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine (CID 43825297) is (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine is Cc1ccc([N+](=O)[O-])cc1C(N)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine?
The InChIKey is NTZKMIKUAORECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-8-5-6-9(18(19)20)7-10(8)14(17)13-11(15)3-2-4-12(13)16/h2-7,14H,17H2,1H3.
What are the key properties of (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine?
(2,6-difluorophenyl)-(2-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 (2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).