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

C20H17ClFNO — CID 5201941

IUPAC4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccccc1COc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFNO/c21-17-9-11-18(12-10-17)23-13-15-5-2-4-8-20(15)24-14-16-6-1-3-7-19(16)22/h1-12,23H,13-14H2
InChIKeyQRRIBMHPGQELIJ-UHFFFAOYSA-N
MW341.81 g/mol
LogP5.67
Rot. Bonds6

About 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline

4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline (PubChem CID 5201941) has the molecular formula C20H17ClFNO and a molecular weight of 341.81 g/mol. Its IUPAC name is 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
PubChem CID5201941
Molecular FormulaC20H17ClFNO
Molecular Weight341.81 g/mol
Exact Mass341.10
IUPAC Name4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
SMILESFc1ccccc1COc1ccccc1CNc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClFNO/c21-17-9-11-18(12-10-17)23-13-15-5-2-4-8-20(15)24-14-16-6-1-3-7-19(16)22/h1-12,23H,13-14H2
InChIKeyQRRIBMHPGQELIJ-UHFFFAOYSA-N
XLogP5.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.81
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[[2-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 66542531
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126128028
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 66541868
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126202114
4-chloro-N-[[2-(2-ethoxyethoxy)phenyl]methyl]aniline
CID 54796330
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17295917
4-bromo-N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]aniline
CID 23851103
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718772
4-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]benzoic acid
CID 66540148
4-chloro-N-[2-(2-fluorophenoxy)ethyl]aniline
CID 55024304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
The IUPAC name of 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline (CID 5201941) is 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline.
What is the SMILES notation for 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
The canonical SMILES for 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline is Fc1ccccc1COc1ccccc1CNc1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
The InChIKey is QRRIBMHPGQELIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO/c21-17-9-11-18(12-10-17)23-13-15-5-2-4-8-20(15)24-14-16-6-1-3-7-19(16)22/h1-12,23H,13-14H2.
What are the key properties of 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline?
4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline has a molecular weight of 341.81 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]aniline is sourced from PubChem (CID 5201941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).