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

C20H24BrCl2NO2 — CID 66535949

IUPACN-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1c(Br)ccc(OC)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24BrCl2NO2/c1-5-20(2,3)24-11-15-16(21)8-9-18(25-4)19(15)26-12-13-6-7-14(22)10-17(13)23/h6-10,24H,5,11-12H2,1-4H3
InChIKeyXIWKRNDWQJBKDA-UHFFFAOYSA-N
MW461.23 g/mol
LogP6.62
Rot. Bonds8

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

N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine (PubChem CID 66535949) has the molecular formula C20H24BrCl2NO2 and a molecular weight of 461.23 g/mol. Its IUPAC name is N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
PubChem CID66535949
Molecular FormulaC20H24BrCl2NO2
Molecular Weight461.23 g/mol
Exact Mass459.04
IUPAC NameN-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1c(Br)ccc(OC)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24BrCl2NO2/c1-5-20(2,3)24-11-15-16(21)8-9-18(25-4)19(15)26-12-13-6-7-14(22)10-17(13)23/h6-10,24H,5,11-12H2,1-4H3
InChIKeyXIWKRNDWQJBKDA-UHFFFAOYSA-N
XLogP6.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.23
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66543977
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66544347
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine
CID 66535915
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 66536017
4-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-3-methylbenzoic acid
CID 66544348
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-morpholin-4-ylaniline
CID 66543864
N-[[6-bromo-2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4,4-trimethylpentan-2-amine
CID 66536901
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 66536755
N-(1H-benzimidazol-2-ylmethyl)-1-[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 66538511
N-[[6-bromo-2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66543876
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544036
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]-2-methylbutan-2-amine?
The IUPAC name of N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine (CID 66535949) is N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1c(Br)ccc(OC)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine?
The InChIKey is XIWKRNDWQJBKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrCl2NO2/c1-5-20(2,3)24-11-15-16(21)8-9-18(25-4)19(15)26-12-13-6-7-14(22)10-17(13)23/h6-10,24H,5,11-12H2,1-4H3.
What are the key properties of N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine?
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine has a molecular weight of 461.23 g/mol, XLogP of 6.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 66535949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).