1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine

C14H10BrClF3N — CID 106942434

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Cl)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF3N/c1-20-14(8-3-2-7(17)6-10(8)16)12-11(18)5-4-9(15)13(12)19/h2-6,14,20H,1H3
InChIKeyADHTUJMBPKUPKE-UHFFFAOYSA-N
MW364.59 g/mol
LogP4.83
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine

1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine (PubChem CID 106942434) has the molecular formula C14H10BrClF3N and a molecular weight of 364.59 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
PubChem CID106942434
Molecular FormulaC14H10BrClF3N
Molecular Weight364.59 g/mol
Exact Mass362.96
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)cc1Cl)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H10BrClF3N/c1-20-14(8-3-2-7(17)6-10(8)16)12-11(18)5-4-9(15)13(12)19/h2-6,14,20H,1H3
InChIKeyADHTUJMBPKUPKE-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.59
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-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-(2-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82823128
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 106944665
[(3-bromo-2,6-difluorophenyl)-(2-bromo-4-fluorophenyl)methyl]hydrazine
CID 106945532
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 102828239
1-(3-bromo-2,6-difluorophenyl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 106944481
1-(3-bromo-2,6-difluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 106942832
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 51694296
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855144
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine (CID 106942434) is 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)cc1Cl)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine?
The InChIKey is ADHTUJMBPKUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3N/c1-20-14(8-3-2-7(17)6-10(8)16)12-11(18)5-4-9(15)13(12)19/h2-6,14,20H,1H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine?
1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine has a molecular weight of 364.59 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 106942434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).