(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine

C16H17BrFNO2 — CID 105056543

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)ccc2F)c(OC)cc1Br
InChIInChI=1S/C16H17BrFNO2/c1-9-4-5-13(18)10(6-9)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8,16H,19H2,1-3H3
InChIKeyJIAJOJCSFMXAQD-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.96
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine

(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 105056543) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID105056543
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc(C)ccc2F)c(OC)cc1Br
InChIInChI=1S/C16H17BrFNO2/c1-9-4-5-13(18)10(6-9)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8,16H,19H2,1-3H3
InChIKeyJIAJOJCSFMXAQD-UHFFFAOYSA-N
XLogP3.96
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethoxy-2-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514648
(4-chloro-2-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852897
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 105056511
(2-fluoro-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032758
(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(3,4-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62514449
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
(2,5-dibromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 114369086
(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62514630

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine (CID 105056543) is (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine is COc1cc(C(N)c2cc(C)ccc2F)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is JIAJOJCSFMXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-9-4-5-13(18)10(6-9)16(19)11-7-15(21-3)12(17)8-14(11)20-2/h4-8,16H,19H2,1-3H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 354.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 105056543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).