(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine

C15H15BrFNO — CID 107130164

IUPAC(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C15H15BrFNO/c1-9-3-4-10(7-13(9)17)15(18)12-6-5-11(16)8-14(12)19-2/h3-8,15H,18H2,1-2H3
InChIKeyZMVCKRLFSQGPOT-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.95
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine

(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine (PubChem CID 107130164) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
PubChem CID107130164
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine
SMILESCOc1cc(Br)ccc1C(N)c1ccc(C)c(F)c1
InChIInChI=1S/C15H15BrFNO/c1-9-3-4-10(7-13(9)17)15(18)12-6-5-11(16)8-14(12)19-2/h3-8,15H,18H2,1-2H3
InChIKeyZMVCKRLFSQGPOT-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006
(2,5-dibromophenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81283090
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
(4-bromo-2-methoxyphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115368857
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
4-bromo-1-[chloro-(3,4-dimethylphenyl)methyl]-2-methoxybenzene
CID 115369785
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanamine
CID 115850574
(5-chloro-2-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82883361
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine (CID 107130164) is (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine is COc1cc(Br)ccc1C(N)c1ccc(C)c(F)c1.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
The InChIKey is ZMVCKRLFSQGPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-3-4-10(7-13(9)17)15(18)12-6-5-11(16)8-14(12)19-2/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine?
(4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine has a molecular weight of 324.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(3-fluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107130164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).