(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine

C16H17BrFNO — CID 65440106

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C16H17BrFNO/c1-9-4-5-11(18)7-12(9)16(19)13-8-14(17)10(2)6-15(13)20-3/h4-8,16H,19H2,1-3H3
InChIKeyJWMCKNPENUMASM-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.26
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine

(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 65440106) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID65440106
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCOc1cc(C)c(Br)cc1C(N)c1cc(F)ccc1C
InChIInChI=1S/C16H17BrFNO/c1-9-4-5-11(18)7-12(9)16(19)13-8-14(17)10(2)6-15(13)20-3/h4-8,16H,19H2,1-3H3
InChIKeyJWMCKNPENUMASM-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanamine
CID 65440107
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanamine
CID 82772992
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65434153
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 65440106) is (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine is COc1cc(C)c(Br)cc1C(N)c1cc(F)ccc1C.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is JWMCKNPENUMASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-9-4-5-11(18)7-12(9)16(19)13-8-14(17)10(2)6-15(13)20-3/h4-8,16H,19H2,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 338.22 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 65440106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).