4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline

C15H15ClFNO2 — CID 43716521

IUPAC4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2F)c1OC
InChIInChI=1S/C15H15ClFNO2/c1-19-14-5-3-4-10(15(14)20-2)9-18-13-7-6-11(16)8-12(13)17/h3-8,18H,9H2,1-2H3
InChIKeyCZXZUSBOAATAOK-UHFFFAOYSA-N
MW295.74 g/mol
LogP4.11
Rot. Bonds5

About 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline

4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline (PubChem CID 43716521) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
PubChem CID43716521
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline
SMILESCOc1cccc(CNc2ccc(Cl)cc2F)c1OC
InChIInChI=1S/C15H15ClFNO2/c1-19-14-5-3-4-10(15(14)20-2)9-18-13-7-6-11(16)8-12(13)17/h3-8,18H,9H2,1-2H3
InChIKeyCZXZUSBOAATAOK-UHFFFAOYSA-N
XLogP4.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791665
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2,5-difluoroaniline
CID 107609950
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 103818353
4-chloro-N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylaniline
CID 43766538
4-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoroaniline
CID 43716456
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
2-chloro-6-[(4-chloro-2-fluoroanilino)methyl]phenol
CID 112606494
3-[(5-chloro-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61319274
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
2-fluoro-N-[(3-methoxy-2-propoxyphenyl)methyl]aniline
CID 39392801
2-[(4-chloro-2,5-dimethoxyanilino)methyl]-6-fluorophenol
CID 115950931

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline (CID 43716521) is 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline is COc1cccc(CNc2ccc(Cl)cc2F)c1OC.
What is the InChIKey of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline?
The InChIKey is CZXZUSBOAATAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-14-5-3-4-10(15(14)20-2)9-18-13-7-6-11(16)8-12(13)17/h3-8,18H,9H2,1-2H3.
What are the key properties of 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline?
4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline has a molecular weight of 295.74 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 43716521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).