1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine

C14H11BrCl2FN — CID 63502754

IUPAC1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-19-14(8-4-9(15)6-11(18)5-8)12-3-2-10(16)7-13(12)17/h2-7,14,19H,1H3
InChIKeyFBVIGPJFFKTGQX-UHFFFAOYSA-N
MW363.06 g/mol
LogP5.20
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine

1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine (PubChem CID 63502754) has the molecular formula C14H11BrCl2FN and a molecular weight of 363.06 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
PubChem CID63502754
Molecular FormulaC14H11BrCl2FN
Molecular Weight363.06 g/mol
Exact Mass360.94
IUPAC Name1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cc(F)cc(Br)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H11BrCl2FN/c1-19-14(8-4-9(15)6-11(18)5-8)12-3-2-10(16)7-13(12)17/h2-7,14,19H,1H3
InChIKeyFBVIGPJFFKTGQX-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.06
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-[chloro-(2,4-dichlorophenyl)methyl]-5-fluorobenzene
CID 63444025
1-(2,4-dichlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 63502416
1-(3-bromo-5-fluorophenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561405
1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114906490
N-[(2,4-dichlorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 63502767
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(3-chloro-5-methylphenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 81324012
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
1-(3-bromo-5-chlorophenyl)-1-(4-bromo-2,5-difluorophenyl)-N-methylmethanamine
CID 107950619
1-(3-bromo-2,6-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 106942434

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine (CID 63502754) is 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine is CNC(c1cc(F)cc(Br)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
The InChIKey is FBVIGPJFFKTGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FN/c1-19-14(8-4-9(15)6-11(18)5-8)12-3-2-10(16)7-13(12)17/h2-7,14,19H,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine?
1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine has a molecular weight of 363.06 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 63502754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).