(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine

C15H14F2N2O2 — CID 43825087

IUPAC(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
SMILESCc1cc([N+](=O)[O-])cc(C(N)c2c(F)cccc2F)c1C
InChIInChI=1S/C15H14F2N2O2/c1-8-6-10(19(20)21)7-11(9(8)2)15(18)14-12(16)4-3-5-13(14)17/h3-7,15H,18H2,1-2H3
InChIKeyPAFAYYWPSKHXRL-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.54
Rot. Bonds3

About (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine

(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine (PubChem CID 43825087) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.28 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
PubChem CID43825087
Molecular FormulaC15H14F2N2O2
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC Name(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
SMILESCc1cc([N+](=O)[O-])cc(C(N)c2c(F)cccc2F)c1C
InChIInChI=1S/C15H14F2N2O2/c1-8-6-10(19(20)21)7-11(9(8)2)15(18)14-12(16)4-3-5-13(14)17/h3-7,15H,18H2,1-2H3
InChIKeyPAFAYYWPSKHXRL-UHFFFAOYSA-N
XLogP3.54
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.54
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-methyl-5-nitrophenyl)methanamine
CID 43825297
(3-chlorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825064
(2,3-dimethyl-5-nitrophenyl)-(3-methoxyphenyl)methanamine
CID 43825081
1-(2,3-dimethyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825094
(1R)-1-(2-fluoro-3-methyl-5-nitrophenyl)ethanamine
CID 159158940
(2,6-difluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 115859741
(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825498
2,3-dihydro-1-benzofuran-2-yl-(2,3-dimethyl-5-nitrophenyl)methanamine
CID 43825096
1-(2-fluoro-6-nitrophenyl)ethanamine
CID 55282277
(4-bromo-2,6-difluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115850579
(1R)-1-[2-fluoro-6-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370027
1-[2-fluoro-6-(3-nitrophenoxy)phenyl]ethanamine
CID 61030760

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine (CID 43825087) is (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine is Cc1cc([N+](=O)[O-])cc(C(N)c2c(F)cccc2F)c1C.
What is the InChIKey of (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine?
The InChIKey is PAFAYYWPSKHXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c1-8-6-10(19(20)21)7-11(9(8)2)15(18)14-12(16)4-3-5-13(14)17/h3-7,15H,18H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine?
(2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine has a molecular weight of 292.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2,3-dimethyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).