N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline

C22H20BrCl2NO — CID 126120263

IUPACN-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C22H20BrCl2NO/c1-2-17-5-3-4-6-21(17)26-13-16-11-19(24)22(20(25)12-16)27-14-15-7-9-18(23)10-8-15/h3-12,26H,2,13-14H2,1H3
InChIKeyJQPGFWAPPDAONK-UHFFFAOYSA-N
MW465.22 g/mol
LogP7.51
Rot. Bonds7

About N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline

N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline (PubChem CID 126120263) has the molecular formula C22H20BrCl2NO and a molecular weight of 465.22 g/mol. Its IUPAC name is N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
PubChem CID126120263
Molecular FormulaC22H20BrCl2NO
Molecular Weight465.22 g/mol
Exact Mass463.01
IUPAC NameN-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C22H20BrCl2NO/c1-2-17-5-3-4-6-21(17)26-13-16-11-19(24)22(20(25)12-16)27-14-15-7-9-18(23)10-8-15/h3-12,26H,2,13-14H2,1H3
InChIKeyJQPGFWAPPDAONK-UHFFFAOYSA-N
XLogP7.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.22
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126121101
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline
CID 126117021
N-[(3,5-dichloro-4-ethoxyphenyl)methyl]-2-ethylaniline
CID 126121520
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-ethylaniline
CID 126122856
N-[[3-chloro-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126122735
N-[[4-[(4-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methyl]-2-methylaniline
CID 126121219
N-[[3,5-dichloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126123609
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]-2-methylaniline
CID 126128677
N-[[2-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-methylaniline
CID 126124733
N-[(3,5-dichlorophenyl)methyl]-2-ethylaniline
CID 54920225
N-[[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125539
N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]-2-ethylaniline
CID 126125272

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
The IUPAC name of N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline (CID 126120263) is N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline is CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
The InChIKey is JQPGFWAPPDAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrCl2NO/c1-2-17-5-3-4-6-21(17)26-13-16-11-19(24)22(20(25)12-16)27-14-15-7-9-18(23)10-8-15/h3-12,26H,2,13-14H2,1H3.
What are the key properties of N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline?
N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline has a molecular weight of 465.22 g/mol, XLogP of 7.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-bromophenyl)methoxy]-3,5-dichlorophenyl]methyl]-2-ethylaniline is sourced from PubChem (CID 126120263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).