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

C15H16FNO2 — CID 784394

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline
SMILESCOc1ccc(CNc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C15H16FNO2/c1-18-14-7-6-11(15(9-14)19-2)10-17-13-5-3-4-12(16)8-13/h3-9,17H,10H2,1-2H3
InChIKeyAJKHCTMFXBLTHH-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.45
Rot. Bonds5

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

N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline (PubChem CID 784394) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline
PubChem CID784394
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline
SMILESCOc1ccc(CNc2cccc(F)c2)c(OC)c1
InChIInChI=1S/C15H16FNO2/c1-18-14-7-6-11(15(9-14)19-2)10-17-13-5-3-4-12(16)8-13/h3-9,17H,10H2,1-2H3
InChIKeyAJKHCTMFXBLTHH-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline (CID 784394) is N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline is COc1ccc(CNc2cccc(F)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline?
The InChIKey is AJKHCTMFXBLTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-18-14-7-6-11(15(9-14)19-2)10-17-13-5-3-4-12(16)8-13/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline?
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline has a molecular weight of 261.30 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-fluoroaniline is sourced from PubChem (CID 784394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).