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

C16H16Br2FN — CID 107950608

IUPAC1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)c1cc(C)c(Br)cc1C
InChIInChI=1S/C16H16Br2FN/c1-9-7-13(17)10(2)6-12(9)16(20-3)11-4-5-15(19)14(18)8-11/h4-8,16,20H,1-3H3
InChIKeyDTKQAYGUWUZNGN-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.28
Rot. Bonds3

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

1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine (PubChem CID 107950608) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
PubChem CID107950608
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)c1cc(C)c(Br)cc1C
InChIInChI=1S/C16H16Br2FN/c1-9-7-13(17)10(2)6-12(9)16(20-3)11-4-5-15(19)14(18)8-11/h4-8,16,20H,1-3H3
InChIKeyDTKQAYGUWUZNGN-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(3-bromo-4-fluorophenyl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107950732
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
(4-bromo-2,5-dimethylphenyl)-(3-bromo-4-fluorophenyl)methanol
CID 107955646
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 82790188
1-(3-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 107950307
1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 107950559
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 82810031

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine (CID 107950608) is 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(F)c(Br)c1)c1cc(C)c(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine?
The InChIKey is DTKQAYGUWUZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-9-7-13(17)10(2)6-12(9)16(20-3)11-4-5-15(19)14(18)8-11/h4-8,16,20H,1-3H3.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine?
1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine has a molecular weight of 401.12 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 107950608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).