1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine

C14H12F2N2O3 — CID 63941746

IUPAC1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2cc(F)c([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C14H12F2N2O3/c1-17-8-9-3-2-4-10(5-9)21-14-7-11(15)13(18(19)20)6-12(14)16/h2-7,17H,8H2,1H3
InChIKeyCOIMNSXVZWOEBJ-UHFFFAOYSA-N
MW294.26 g/mol
LogP3.38
Rot. Bonds5

About 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine

1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine (PubChem CID 63941746) has the molecular formula C14H12F2N2O3 and a molecular weight of 294.26 g/mol. Its IUPAC name is 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
PubChem CID63941746
Molecular FormulaC14H12F2N2O3
Molecular Weight294.26 g/mol
Exact Mass294.08
IUPAC Name1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(Oc2cc(F)c([N+](=O)[O-])cc2F)c1
InChIInChI=1S/C14H12F2N2O3/c1-17-8-9-3-2-4-10(5-9)21-14-7-11(15)13(18(19)20)6-12(14)16/h2-7,17H,8H2,1H3
InChIKeyCOIMNSXVZWOEBJ-UHFFFAOYSA-N
XLogP3.38
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63942917
1-[3-(4-methoxy-3-nitrophenoxy)phenyl]-N-methylmethanamine
CID 103201891
1-[3-(2-chloro-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63991383
1-[3-(3-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106486509
N-[[3-(2-nitrophenoxy)phenyl]methyl]propan-2-amine
CID 63942526
[3-(4-bromo-5-fluoro-2-nitrophenoxy)phenyl]methanol
CID 79869246
2-bromo-4-(2,5-difluoro-4-nitrophenoxy)benzonitrile
CID 107277045
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80639067
N-[[3-(5-methyl-2-nitrophenoxy)phenyl]methyl]ethanamine
CID 63942722
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
1-[3-fluoro-5-(4-methyl-2-nitrophenoxy)phenyl]-N-methylmethanamine
CID 106531281
1-[3-(3-bromo-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 83234561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine (CID 63941746) is 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine is CNCc1cccc(Oc2cc(F)c([N+](=O)[O-])cc2F)c1.
What is the InChIKey of 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
The InChIKey is COIMNSXVZWOEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O3/c1-17-8-9-3-2-4-10(5-9)21-14-7-11(15)13(18(19)20)6-12(14)16/h2-7,17H,8H2,1H3.
What are the key properties of 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine?
1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine has a molecular weight of 294.26 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-difluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 63941746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).