2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline

C24H25F2NO2 — CID 144785029

IUPAC2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cc(C)c(-c2cc(F)c(F)cc2OC)cc1C
InChIInChI=1S/C24H25F2NO2/c1-14-7-6-8-22(27-4)19(14)13-29-23-10-15(2)17(9-16(23)3)18-11-20(25)21(26)12-24(18)28-5/h6-12,27H,13H2,1-5H3
InChIKeyBSKAXNUHKGJCKU-UHFFFAOYSA-N
MW397.47 g/mol
LogP6.19
Rot. Bonds6

About 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline

2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline (PubChem CID 144785029) has the molecular formula C24H25F2NO2 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound Name2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
PubChem CID144785029
Molecular FormulaC24H25F2NO2
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
SMILESCNc1cccc(C)c1COc1cc(C)c(-c2cc(F)c(F)cc2OC)cc1C
InChIInChI=1S/C24H25F2NO2/c1-14-7-6-8-22(27-4)19(14)13-29-23-10-15(2)17(9-16(23)3)18-11-20(25)21(26)12-24(18)28-5/h6-12,27H,13H2,1-5H3
InChIKeyBSKAXNUHKGJCKU-UHFFFAOYSA-N
XLogP6.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2,5-dimethyl-1,3-thiazol-4-yl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
CID 144799636
2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
CID 144738945
3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 129110182
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
N,3-dimethyl-2-[(2-methyl-4-phenoxyphenoxy)methyl]aniline
CID 144784982
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
N,3-dimethyl-2-[(2-methyl-4-pentan-2-ylphenoxy)methyl]aniline
CID 144784724
[3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenyl]-phenylmethanone
CID 144659514
formohydrazide;3-methyl-4-[[2-methyl-6-(methylamino)phenyl]methoxy]phenol
CID 144784892
methyl 2-[(5-fluoro-2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367543

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
The IUPAC name of 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline (CID 144785029) is 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline.
What is the SMILES notation for 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
The canonical SMILES for 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline is CNc1cccc(C)c1COc1cc(C)c(-c2cc(F)c(F)cc2OC)cc1C.
What is the InChIKey of 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
The InChIKey is BSKAXNUHKGJCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2NO2/c1-14-7-6-8-22(27-4)19(14)13-29-23-10-15(2)17(9-16(23)3)18-11-20(25)21(26)12-24(18)28-5/h6-12,27H,13H2,1-5H3.
What are the key properties of 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline?
2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline has a molecular weight of 397.47 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 144785029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).