3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline

C15H15F2NO — CID 71507610

IUPAC3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline
SMILESCN(C)c1cc(F)c(F)c(OCc2ccccc2)c1
InChIInChI=1S/C15H15F2NO/c1-18(2)12-8-13(16)15(17)14(9-12)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyIMRSUHZWBAOGBL-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.61
Rot. Bonds4

About 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline

3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline (PubChem CID 71507610) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline.

Molecular Properties

Compound Name3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline
PubChem CID71507610
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline
SMILESCN(C)c1cc(F)c(F)c(OCc2ccccc2)c1
InChIInChI=1S/C15H15F2NO/c1-18(2)12-8-13(16)15(17)14(9-12)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyIMRSUHZWBAOGBL-UHFFFAOYSA-N
XLogP3.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
5-(dimethylamino)-2-phenylmethoxybenzamide
CID 141273591
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
1,2-difluoro-3-methylsulfanyl-4-phenylmethoxybenzene
CID 171368097
1,3-difluoro-2-methylsulfanyl-4-phenylmethoxybenzene
CID 164892505
ethyl 3-(3,4-difluoro-5-phenylmethoxyphenyl)-2,2-dimethylpropanoate
CID 57470613
3-fluoro-N-methoxy-N-methyl-4,5-bis(phenylmethoxy)benzamide
CID 118460227
1,3,4-trifluoro-2-nitro-5-phenylmethoxybenzene
CID 146529231
N,N-dibenzyl-5-fluoro-4-methyl-2-phenylmethoxyaniline
CID 167437602
1-bromo-5-fluoro-4-methyl-2-phenylmethoxybenzene
CID 164894745
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline?
The IUPAC name of 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline (CID 71507610) is 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline.
What is the SMILES notation for 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline?
The canonical SMILES for 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline is CN(C)c1cc(F)c(F)c(OCc2ccccc2)c1.
What is the InChIKey of 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline?
The InChIKey is IMRSUHZWBAOGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-18(2)12-8-13(16)15(17)14(9-12)19-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline?
3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline has a molecular weight of 263.29 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N,N-dimethyl-5-phenylmethoxyaniline is sourced from PubChem (CID 71507610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).