N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline

C22H21ClFNO — CID 126125272

IUPACN-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C22H21ClFNO/c1-2-18-7-3-4-9-21(18)25-14-16-10-11-22(20(23)13-16)26-15-17-6-5-8-19(24)12-17/h3-13,25H,2,14-15H2,1H3
InChIKeyQSSUBPKHEOEXST-UHFFFAOYSA-N
MW369.87 g/mol
LogP6.23
Rot. Bonds7

About N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline

N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline (PubChem CID 126125272) has the molecular formula C22H21ClFNO and a molecular weight of 369.87 g/mol. Its IUPAC name is N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
PubChem CID126125272
Molecular FormulaC22H21ClFNO
Molecular Weight369.87 g/mol
Exact Mass369.13
IUPAC NameN-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C22H21ClFNO/c1-2-18-7-3-4-9-21(18)25-14-16-10-11-22(20(23)13-16)26-15-17-6-5-8-19(24)12-17/h3-13,25H,2,14-15H2,1H3
InChIKeyQSSUBPKHEOEXST-UHFFFAOYSA-N
XLogP6.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.87
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126121126
N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
2-chloro-N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126190527
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126120263
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]acetamide
CID 33064316
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121520
N-[[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126127818
5-chloro-2-ethoxy-N-[(3-fluorophenyl)methyl]aniline
CID 54865430
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126122980

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline?
The IUPAC name of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline (CID 126125272) is N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline is CCc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline?
The InChIKey is QSSUBPKHEOEXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFNO/c1-2-18-7-3-4-9-21(18)25-14-16-10-11-22(20(23)13-16)26-15-17-6-5-8-19(24)12-17/h3-13,25H,2,14-15H2,1H3.
What are the key properties of N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline?
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline has a molecular weight of 369.87 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline is sourced from PubChem (CID 126125272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).