N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline

C20H16Cl2FNO — CID 126122230

IUPACN-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C20H16Cl2FNO/c21-18-10-15(12-24-17-4-2-1-3-5-17)11-19(22)20(18)25-13-14-6-8-16(23)9-7-14/h1-11,24H,12-13H2
InChIKeyJRYAJHVYWGWBHP-UHFFFAOYSA-N
MW376.26 g/mol
LogP6.32
Rot. Bonds6

About N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline

N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 126122230) has the molecular formula C20H16Cl2FNO and a molecular weight of 376.26 g/mol. Its IUPAC name is N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID126122230
Molecular FormulaC20H16Cl2FNO
Molecular Weight376.26 g/mol
Exact Mass375.06
IUPAC NameN-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1
InChIInChI=1S/C20H16Cl2FNO/c21-18-10-15(12-24-17-4-2-1-3-5-17)11-19(22)20(18)25-13-14-6-8-16(23)9-7-14/h1-11,24H,12-13H2
InChIKeyJRYAJHVYWGWBHP-UHFFFAOYSA-N
XLogP6.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126204543
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-methylaniline
CID 126116176
3-chloro-N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 4555271
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methyl]aniline
CID 126120783
N-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17293006
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
3,4-dichloro-N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126203927
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]aniline
CID 126122407
(1R)-N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 40761835
N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123609

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline (CID 126122230) is N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline is Fc1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1.
What is the InChIKey of N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is JRYAJHVYWGWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FNO/c21-18-10-15(12-24-17-4-2-1-3-5-17)11-19(22)20(18)25-13-14-6-8-16(23)9-7-14/h1-11,24H,12-13H2.
What are the key properties of N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline?
N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 376.26 g/mol, XLogP of 6.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 126122230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).