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

C21H20FNO — CID 893345

IUPACN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccccc2OCc2ccccc2F)c1
InChIInChI=1S/C21H20FNO/c1-16-7-6-10-19(13-16)23-14-17-8-3-5-12-21(17)24-15-18-9-2-4-11-20(18)22/h2-13,23H,14-15H2,1H3
InChIKeyKLFCKBFYDCVZRI-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.33
Rot. Bonds6

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

N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline (PubChem CID 893345) has the molecular formula C21H20FNO and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline
PubChem CID893345
Molecular FormulaC21H20FNO
Molecular Weight321.40 g/mol
Exact Mass321.15
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccccc2OCc2ccccc2F)c1
InChIInChI=1S/C21H20FNO/c1-16-7-6-10-19(13-16)23-14-17-8-3-5-12-21(17)24-15-18-9-2-4-11-20(18)22/h2-13,23H,14-15H2,1H3
InChIKeyKLFCKBFYDCVZRI-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline (CID 893345) is N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline is Cc1cccc(NCc2ccccc2OCc2ccccc2F)c1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
The InChIKey is KLFCKBFYDCVZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO/c1-16-7-6-10-19(13-16)23-14-17-8-3-5-12-21(17)24-15-18-9-2-4-11-20(18)22/h2-13,23H,14-15H2,1H3.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline?
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline has a molecular weight of 321.40 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-3-methylaniline is sourced from PubChem (CID 893345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).