(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine

C16H17BrFN — CID 104990701

IUPAC(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C16H17BrFN/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-14(17)15(18)8-12/h4-8,16H,19H2,1-3H3
InChIKeyVGYRAJUJZFPGEY-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.56
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine

(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 104990701) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID104990701
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)c2ccc(Br)c(F)c2)cc1C
InChIInChI=1S/C16H17BrFN/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-14(17)15(18)8-12/h4-8,16H,19H2,1-3H3
InChIKeyVGYRAJUJZFPGEY-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(4-bromo-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545787
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 81436366
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine (CID 104990701) is (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)c2ccc(Br)c(F)c2)cc1C.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is VGYRAJUJZFPGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-9-6-11(3)13(7-10(9)2)16(19)12-4-5-14(17)15(18)8-12/h4-8,16H,19H2,1-3H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine?
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 322.22 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 104990701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).