N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline

C15H15F2NO — CID 28879073

IUPACN-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
SMILESCCOc1ccccc1CNc1c(F)cccc1F
InChIInChI=1S/C15H15F2NO/c1-2-19-14-9-4-3-6-11(14)10-18-15-12(16)7-5-8-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyTVAOSXNYZHBRFW-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.98
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline

N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline (PubChem CID 28879073) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
PubChem CID28879073
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
SMILESCCOc1ccccc1CNc1c(F)cccc1F
InChIInChI=1S/C15H15F2NO/c1-2-19-14-9-4-3-6-11(14)10-18-15-12(16)7-5-8-13(15)17/h3-9,18H,2,10H2,1H3
InChIKeyTVAOSXNYZHBRFW-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
CID 107598496
2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
CID 83082100
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
2-fluoro-N-[(2-propoxyphenyl)methyl]aniline
CID 39360343
1-[(2-ethoxyphenyl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265189
N-[(2-ethoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547421
N-[(2-ethoxyphenyl)methyl]-2-iodoaniline
CID 28878592
N-[(2-aminophenyl)methyl]-2,6-difluoroaniline
CID 66385039
N-[(2-bromophenyl)methyl]-2,6-difluoroaniline
CID 28879071

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline (CID 28879073) is N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline is CCOc1ccccc1CNc1c(F)cccc1F.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline?
The InChIKey is TVAOSXNYZHBRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-2-19-14-9-4-3-6-11(14)10-18-15-12(16)7-5-8-13(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline?
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline has a molecular weight of 263.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline is sourced from PubChem (CID 28879073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).