1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine

C14H11Br2ClFN — CID 81454247

IUPAC1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Br)c1cccc(F)c1Cl
InChIInChI=1S/C14H11Br2ClFN/c1-19-14(9-3-2-4-12(18)13(9)17)10-7-8(15)5-6-11(10)16/h2-7,14,19H,1H3
InChIKeyRSTZKKLABMHIJD-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.31
Rot. Bonds3

About 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine

1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine (PubChem CID 81454247) has the molecular formula C14H11Br2ClFN and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
PubChem CID81454247
Molecular FormulaC14H11Br2ClFN
Molecular Weight407.51 g/mol
Exact Mass404.89
IUPAC Name1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Br)c1cccc(F)c1Cl
InChIInChI=1S/C14H11Br2ClFN/c1-19-14(9-3-2-4-12(18)13(9)17)10-7-8(15)5-6-11(10)16/h2-7,14,19H,1H3
InChIKeyRSTZKKLABMHIJD-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43482284
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(2-chloro-3-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852601
1-(3-bromo-2-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302295
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018419
N-[(2,5-dibromophenyl)-(2,3-difluorophenyl)methyl]ethanamine
CID 63509311
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine (CID 81454247) is 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine is CNC(c1cc(Br)ccc1Br)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The InChIKey is RSTZKKLABMHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClFN/c1-19-14(9-3-2-4-12(18)13(9)17)10-7-8(15)5-6-11(10)16/h2-7,14,19H,1H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine has a molecular weight of 407.51 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine is sourced from PubChem (CID 81454247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).