4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline

C20H17F2NO — CID 126204323

IUPAC4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H17F2NO/c21-17-5-1-16(2-6-17)14-24-20-11-3-15(4-12-20)13-23-19-9-7-18(22)8-10-19/h1-12,23H,13-14H2
InChIKeyWXYBRZBRICVNED-UHFFFAOYSA-N
MW325.36 g/mol
LogP5.16
Rot. Bonds6

About 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline

4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126204323) has the molecular formula C20H17F2NO and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126204323
Molecular FormulaC20H17F2NO
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C20H17F2NO/c21-17-5-1-16(2-6-17)14-24-20-11-3-15(4-12-20)13-23-19-9-7-18(22)8-10-19/h1-12,23H,13-14H2
InChIKeyWXYBRZBRICVNED-UHFFFAOYSA-N
XLogP5.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.36
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-(trifluoromethoxy)aniline
CID 4663581
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
3-chloro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 126117644
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
CID 40650179
4-ethoxy-N-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126125748
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121541
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62453982
N-[(4-fluorophenyl)methyl]-1-[4-[(4-methylphenyl)methoxy]phenyl]methanamine;hydrochloride
CID 17054404

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline (CID 126204323) is 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline is Fc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is WXYBRZBRICVNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO/c21-17-5-1-16(2-6-17)14-24-20-11-3-15(4-12-20)13-23-19-9-7-18(22)8-10-19/h1-12,23H,13-14H2.
What are the key properties of 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 325.36 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126204323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).