1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine

C14H14FN3O3 — CID 80639067

IUPAC1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc([N+](=O)[O-])c(F)c2)c(C)c1
InChIInChI=1S/C14H14FN3O3/c1-9-5-10(7-16-2)8-17-14(9)21-11-3-4-13(18(19)20)12(15)6-11/h3-6,8,16H,7H2,1-2H3
InChIKeyJZRQCHLQHIGRSK-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.95
Rot. Bonds5

About 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80639067) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80639067
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(Oc2ccc([N+](=O)[O-])c(F)c2)c(C)c1
InChIInChI=1S/C14H14FN3O3/c1-9-5-10(7-16-2)8-17-14(9)21-11-3-4-13(18(19)20)12(15)6-11/h3-6,8,16H,7H2,1-2H3
InChIKeyJZRQCHLQHIGRSK-UHFFFAOYSA-N
XLogP2.95
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[3-(3-fluoro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 63942917
1-[6-(3,4-dimethylphenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine
CID 80635573
N-methyl-1-[3-[(3-methyl-5-nitro-2-pyridinyl)oxy]phenyl]methanamine
CID 106486385
5-(bromomethyl)-2-(4-methoxy-3-nitrophenoxy)-3-methylpyridine
CID 107089424
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
N-[[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 107169889
5-(chloromethyl)-2-(2,5-difluoro-4-nitrophenoxy)-3-methylpyridine
CID 80631960
[6-(4-methoxy-3-nitrophenoxy)-5-methyl-3-pyridinyl]methanol
CID 103201814
4-(bromomethyl)-1-(3-fluoro-4-nitrophenoxy)-2-methylbenzene
CID 107088217
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
N-[[6-(4-chloro-3-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 82718259

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80639067) is 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(Oc2ccc([N+](=O)[O-])c(F)c2)c(C)c1.
What is the InChIKey of 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is JZRQCHLQHIGRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-9-5-10(7-16-2)8-17-14(9)21-11-3-4-13(18(19)20)12(15)6-11/h3-6,8,16H,7H2,1-2H3.
What are the key properties of 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 291.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluoro-4-nitrophenoxy)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80639067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).