N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline

C20H18FNO — CID 893128

IUPACN-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1cccc(COc2ccccc2CNc2ccccc2)c1
InChIInChI=1S/C20H18FNO/c21-18-9-6-7-16(13-18)15-23-20-12-5-4-8-17(20)14-22-19-10-2-1-3-11-19/h1-13,22H,14-15H2
InChIKeyWXLHGVADSVDFPI-UHFFFAOYSA-N
MW307.37 g/mol
LogP5.02
Rot. Bonds6

About N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline

N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 893128) has the molecular formula C20H18FNO and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID893128
Molecular FormulaC20H18FNO
Molecular Weight307.37 g/mol
Exact Mass307.14
IUPAC NameN-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1cccc(COc2ccccc2CNc2ccccc2)c1
InChIInChI=1S/C20H18FNO/c21-18-9-6-7-16(13-18)15-23-20-12-5-4-8-17(20)14-22-19-10-2-1-3-11-19/h1-13,22H,14-15H2
InChIKeyWXLHGVADSVDFPI-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline (CID 893128) is N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline is Fc1cccc(COc2ccccc2CNc2ccccc2)c1.
What is the InChIKey of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is WXLHGVADSVDFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO/c21-18-9-6-7-16(13-18)15-23-20-12-5-4-8-17(20)14-22-19-10-2-1-3-11-19/h1-13,22H,14-15H2.
What are the key properties of N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline?
N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 307.37 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 893128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).