(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine

C15H14Br2FNO — CID 107950673

IUPAC(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14Br2FNO/c1-8-5-14(20-2)10(7-11(8)16)15(19)9-3-4-13(18)12(17)6-9/h3-7,15H,19H2,1-2H3
InChIKeyRQNYVASZLLLBOI-UHFFFAOYSA-N
MW403.09 g/mol
LogP4.72
Rot. Bonds3

About (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine

(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine (PubChem CID 107950673) has the molecular formula C15H14Br2FNO and a molecular weight of 403.09 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
PubChem CID107950673
Molecular FormulaC15H14Br2FNO
Molecular Weight403.09 g/mol
Exact Mass400.94
IUPAC Name(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14Br2FNO/c1-8-5-14(20-2)10(7-11(8)16)15(19)9-3-4-13(18)12(17)6-9/h3-7,15H,19H2,1-2H3
InChIKeyRQNYVASZLLLBOI-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.09
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
1-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 107958956
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 103394484
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(5-bromo-4-fluoro-2-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 103394434
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82772992
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine (CID 107950673) is (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine is COc1cc(C)c(Br)cc1C(N)c1ccc(F)c(Br)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
The InChIKey is RQNYVASZLLLBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FNO/c1-8-5-14(20-2)10(7-11(8)16)15(19)9-3-4-13(18)12(17)6-9/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine?
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine has a molecular weight of 403.09 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 107950673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).