1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine

C15H15BrClFN2O — CID 106762794

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)nc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H15BrClFN2O/c1-19-12(7-9-3-6-13(21-2)20-8-9)10-4-5-11(16)14(17)15(10)18/h3-6,8,12,19H,7H2,1-2H3
InChIKeyPGIWMSQYFYMTIP-UHFFFAOYSA-N
MW373.65 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine

1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine (PubChem CID 106762794) has the molecular formula C15H15BrClFN2O and a molecular weight of 373.65 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
PubChem CID106762794
Molecular FormulaC15H15BrClFN2O
Molecular Weight373.65 g/mol
Exact Mass372.00
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)nc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C15H15BrClFN2O/c1-19-12(7-9-3-6-13(21-2)20-8-9)10-4-5-11(16)14(17)15(10)18/h3-6,8,12,19H,7H2,1-2H3
InChIKeyPGIWMSQYFYMTIP-UHFFFAOYSA-N
XLogP4.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine 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-(4-bromo-3-chloro-2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 106762511
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(6-methoxy-3-pyridinyl)ethanamine
CID 105395281
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenyl)-N-ethylethanamine
CID 106762300
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 106762284
1-(cyclohexen-1-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 106653948
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 106765191
1-(4-bromo-3-chloro-2-fluorophenyl)-N-methylheptan-1-amine
CID 106764947
[1-(4-fluoro-2-methylphenyl)-2-(6-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105250492
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
N-[1-(4-bromo-3-chloro-2-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 106762282
1-(3,4-dihydro-2H-pyran-6-yl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine
CID 102647849
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(6-methoxy-3-pyridinyl)methanamine
CID 106263440

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine (CID 106762794) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(OC)nc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
The InChIKey is PGIWMSQYFYMTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O/c1-19-12(7-9-3-6-13(21-2)20-8-9)10-4-5-11(16)14(17)15(10)18/h3-6,8,12,19H,7H2,1-2H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine has a molecular weight of 373.65 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(6-methoxy-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 106762794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).