2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline

C15H14ClF2NO — CID 83082100

IUPAC2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
SMILESCCOc1ccccc1CNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-2-20-14-6-4-3-5-10(14)9-19-15-12(16)7-11(17)8-13(15)18/h3-8,19H,2,9H2,1H3
InChIKeyLBGYKIANXTUCIL-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.63
Rot. Bonds5

About 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline

2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline (PubChem CID 83082100) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
PubChem CID83082100
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline
SMILESCCOc1ccccc1CNc1c(F)cc(F)cc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-2-20-14-6-4-3-5-10(14)9-19-15-12(16)7-11(17)8-13(15)18/h3-8,19H,2,9H2,1H3
InChIKeyLBGYKIANXTUCIL-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
methyl 2-[(2-chloro-4,6-difluoroanilino)methyl]benzoate
CID 83074169
2-bromo-N-[(2-ethoxyphenyl)methyl]-6-fluoroaniline
CID 107598496
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
2-bromo-6-chloro-4-fluoro-N-[(2-prop-2-enoxyphenyl)methyl]aniline
CID 107610536
N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4,6-difluoroaniline
CID 83081309
2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 83072892
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
5-chloro-N-[(2-ethoxyphenyl)methyl]-2-methylaniline
CID 894349
2-chloro-N-[(2,4-dimethylphenyl)methyl]-4,6-difluoroaniline
CID 83081787

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline (CID 83082100) is 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline is CCOc1ccccc1CNc1c(F)cc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline?
The InChIKey is LBGYKIANXTUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-2-20-14-6-4-3-5-10(14)9-19-15-12(16)7-11(17)8-13(15)18/h3-8,19H,2,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline?
2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline has a molecular weight of 297.73 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethoxyphenyl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 83082100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).