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

C22H21Cl2NO — CID 126121126

IUPACN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H21Cl2NO/c1-2-16-6-9-20(10-7-16)25-14-17-8-11-22(21(24)13-17)26-15-18-4-3-5-19(23)12-18/h3-13,25H,2,14-15H2,1H3
InChIKeyQJEMOOGOJQKEBI-UHFFFAOYSA-N
MW386.32 g/mol
LogP6.75
Rot. Bonds7

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

N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (PubChem CID 126121126) has the molecular formula C22H21Cl2NO and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.

Molecular Properties

Compound NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
PubChem CID126121126
Molecular FormulaC22H21Cl2NO
Molecular Weight386.32 g/mol
Exact Mass385.10
IUPAC NameN-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
SMILESCCc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H21Cl2NO/c1-2-16-6-9-20(10-7-16)25-14-17-8-11-22(21(24)13-17)26-15-18-4-3-5-19(23)12-18/h3-13,25H,2,14-15H2,1H3
InChIKeyQJEMOOGOJQKEBI-UHFFFAOYSA-N
XLogP6.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.32
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126126042
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-3-methylaniline
CID 126127595
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
4-bromo-N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126212611
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-fluoroaniline
CID 126211661
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126119858
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-ethylaniline
CID 126128844
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline
CID 126127915
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126125272

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The IUPAC name of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline (CID 126121126) is N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline.
What is the SMILES notation for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The canonical SMILES for N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is CCc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1.
What is the InChIKey of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
The InChIKey is QJEMOOGOJQKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO/c1-2-16-6-9-20(10-7-16)25-14-17-8-11-22(21(24)13-17)26-15-18-4-3-5-19(23)12-18/h3-13,25H,2,14-15H2,1H3.
What are the key properties of N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline?
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline has a molecular weight of 386.32 g/mol, XLogP of 6.75, 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-chlorophenyl)methoxy]phenyl]methyl]-4-ethylaniline is sourced from PubChem (CID 126121126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).