(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine

C15H14BrF2NO2 — CID 105056511

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
SMILESCOc1cc(C(N)c2cccc(F)c2F)c(OC)cc1Br
InChIInChI=1S/C15H14BrF2NO2/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(17)14(8)18/h3-7,15H,19H2,1-2H3
InChIKeyPHKPNAUACDSFOX-UHFFFAOYSA-N
MW358.18 g/mol
LogP3.79
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine

(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine (PubChem CID 105056511) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
PubChem CID105056511
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine
SMILESCOc1cc(C(N)c2cccc(F)c2F)c(OC)cc1Br
InChIInChI=1S/C15H14BrF2NO2/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(17)14(8)18/h3-7,15H,19H2,1-2H3
InChIKeyPHKPNAUACDSFOX-UHFFFAOYSA-N
XLogP3.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,5-dimethoxyphenyl)-(2-bromophenyl)methanamine
CID 105056652
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
(4-bromo-2,5-dimethoxyphenyl)-(3-fluorophenyl)methanamine
CID 105056618
(4-bromo-2,5-dimethoxyphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 105056543
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
1-bromo-4-[bromo-(2-bromo-3-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057382
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62867793
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(2-bromo-3,4-difluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 107538884
(2,3-difluorophenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 62650016

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine (CID 105056511) is (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine is COc1cc(C(N)c2cccc(F)c2F)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine?
The InChIKey is PHKPNAUACDSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c1-20-12-7-10(16)13(21-2)6-9(12)15(19)8-4-3-5-11(17)14(8)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine?
(4-bromo-2,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanamine has a molecular weight of 358.18 g/mol, XLogP of 3.79, 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)-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 105056511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).