(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

C16H17BrFNO — CID 105032943

IUPAC(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(F)ccc2Br)cc1C
InChIInChI=1S/C16H17BrFNO/c1-9-7-15(20-3)10(2)6-12(9)16(19)13-8-11(18)4-5-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeySRQISAHTDACKLI-UHFFFAOYSA-N
MW338.22 g/mol
LogP4.26
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine

(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (PubChem CID 105032943) has the molecular formula C16H17BrFNO and a molecular weight of 338.22 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
PubChem CID105032943
Molecular FormulaC16H17BrFNO
Molecular Weight338.22 g/mol
Exact Mass337.05
IUPAC Name(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
SMILESCOc1cc(C)c(C(N)c2cc(F)ccc2Br)cc1C
InChIInChI=1S/C16H17BrFNO/c1-9-7-15(20-3)10(2)6-12(9)16(19)13-8-11(18)4-5-14(13)17/h4-8,16H,19H2,1-3H3
InChIKeySRQISAHTDACKLI-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

(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
1-[(2-bromo-5-fluorophenyl)-chloromethyl]-4,5-dimethoxy-2-methylbenzene
CID 63435216
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(2,4-difluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032726
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-fluoro-4,5-dimethoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048771

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine (CID 105032943) is (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is COc1cc(C)c(C(N)c2cc(F)ccc2Br)cc1C.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
The InChIKey is SRQISAHTDACKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO/c1-9-7-15(20-3)10(2)6-12(9)16(19)13-8-11(18)4-5-14(13)17/h4-8,16H,19H2,1-3H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine?
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)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 (2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 105032943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).