5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine

C22H22BrFN2O3 — CID 164907964

IUPAC5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(OC)c(Br)cc2F)cc1
InChIInChI=1S/C22H22BrFN2O3/c1-27-17-8-4-15(5-9-17)13-26(14-16-6-10-18(28-2)11-7-16)21-20(24)12-19(23)22(25-21)29-3/h4-12H,13-14H2,1-3H3
InChIKeyWQTOJJLTJDRROE-UHFFFAOYSA-N
MW461.33 g/mol
LogP5.22
Rot. Bonds8

About 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine

5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (PubChem CID 164907964) has the molecular formula C22H22BrFN2O3 and a molecular weight of 461.33 g/mol. Its IUPAC name is 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
PubChem CID164907964
Molecular FormulaC22H22BrFN2O3
Molecular Weight461.33 g/mol
Exact Mass460.08
IUPAC Name5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2nc(OC)c(Br)cc2F)cc1
InChIInChI=1S/C22H22BrFN2O3/c1-27-17-8-4-15(5-9-17)13-26(14-16-6-10-18(28-2)11-7-16)21-20(24)12-19(23)22(25-21)29-3/h4-12H,13-14H2,1-3H3
InChIKeyWQTOJJLTJDRROE-UHFFFAOYSA-N
XLogP5.22
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.33
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-3-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-6-methylpyridin-2-amine
CID 170357029
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
5-bromo-2-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 170423235
5-bromo-4-(1,1-difluoroethyl)-2-fluoro-N,N-bis[(4-methoxyphenyl)methyl]aniline
CID 170357137
6-bromo-7-fluoro-N,N-bis[(4-methoxyphenyl)methyl]isoquinolin-3-amine
CID 176695054
N,N-dibenzyl-6-bromo-5-fluoro-2-methoxypyridin-3-amine
CID 171619528
5-bromo-2-fluoro-N,N-bis[(4-methoxyphenyl)methyl]-4-(1-methoxyprop-1-en-2-yl)aniline
CID 170356892
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
8-bromo-N,N-bis[(4-methoxyphenyl)methyl]pyrido[4,3-d]pyrimidin-4-amine
CID 71207858
N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 162374398
5-bromo-N-ethyl-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 133384195

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine (CID 164907964) is 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(OC)c(Br)cc2F)cc1.
What is the InChIKey of 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
The InChIKey is WQTOJJLTJDRROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrFN2O3/c1-27-17-8-4-15(5-9-17)13-26(14-16-6-10-18(28-2)11-7-16)21-20(24)12-19(23)22(25-21)29-3/h4-12H,13-14H2,1-3H3.
What are the key properties of 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine?
5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine has a molecular weight of 461.33 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-fluoro-6-methoxy-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 164907964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).