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

C14H10Br2ClF2N — CID 107953930

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H10Br2ClF2N/c1-20-14(7-3-2-4-10(16)12(7)18)8-5-6-9(15)11(17)13(8)19/h2-6,14,20H,1H3
InChIKeyDJTFEWPCBHWPNL-UHFFFAOYSA-N
MW425.50 g/mol
LogP5.45
Rot. Bonds3

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

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine (PubChem CID 107953930) has the molecular formula C14H10Br2ClF2N and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
PubChem CID107953930
Molecular FormulaC14H10Br2ClF2N
Molecular Weight425.50 g/mol
Exact Mass422.88
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1F)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H10Br2ClF2N/c1-20-14(7-3-2-4-10(16)12(7)18)8-5-6-9(15)11(17)13(8)19/h2-6,14,20H,1H3
InChIKeyDJTFEWPCBHWPNL-UHFFFAOYSA-N
XLogP5.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106762319
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)-N-methylmethanamine
CID 106764395
[(4-bromo-3-chloro-2-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]hydrazine
CID 106765567
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 106764470
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-chloro-4-pyridinyl)-N-methylmethanamine
CID 106764894
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 106764769
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(3-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302295
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 106764942
[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methyl]hydrazine
CID 114024336
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 106762224

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine (CID 107953930) is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine is CNC(c1cccc(Br)c1F)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is DJTFEWPCBHWPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClF2N/c1-20-14(7-3-2-4-10(16)12(7)18)8-5-6-9(15)11(17)13(8)19/h2-6,14,20H,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 425.50 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 107953930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).