N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine

C23H22BrCl2NO3 — CID 66535915

IUPACN-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1c(Br)ccc(OC)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22BrCl2NO3/c1-28-21-6-4-3-5-15(21)12-27-13-18-19(24)9-10-22(29-2)23(18)30-14-16-7-8-17(25)11-20(16)26/h3-11,27H,12-14H2,1-2H3
InChIKeyXWRMMXDIUXJNCK-UHFFFAOYSA-N
MW511.24 g/mol
LogP6.64
Rot. Bonds9

About N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine

N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 66535915) has the molecular formula C23H22BrCl2NO3 and a molecular weight of 511.24 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID66535915
Molecular FormulaC23H22BrCl2NO3
Molecular Weight511.24 g/mol
Exact Mass509.02
IUPAC NameN-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1c(Br)ccc(OC)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H22BrCl2NO3/c1-28-21-6-4-3-5-15(21)12-27-13-18-19(24)9-10-22(29-2)23(18)30-14-16-7-8-17(25)11-20(16)26/h3-11,27H,12-14H2,1-2H3
InChIKeyXWRMMXDIUXJNCK-UHFFFAOYSA-N
XLogP6.64
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.24
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66543977
N-(1H-benzimidazol-2-ylmethyl)-1-[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66538511
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66535949
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208110
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66544347
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 66536038
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 66538742
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66543876
N-[[6-bromo-2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66535931
N-[[6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(2-fluorophenyl)ethanamine
CID 66535982
N-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 66536256

Frequently Asked Questions

What is the IUPAC name of N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine (CID 66535915) is N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1c(Br)ccc(OC)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is XWRMMXDIUXJNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrCl2NO3/c1-28-21-6-4-3-5-15(21)12-27-13-18-19(24)9-10-22(29-2)23(18)30-14-16-7-8-17(25)11-20(16)26/h3-11,27H,12-14H2,1-2H3.
What are the key properties of N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine?
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 511.24 g/mol, XLogP of 6.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 66535915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).