N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine

C25H20BrCl2NO2 — CID 66543090

IUPACN-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine
SMILESCOc1cc(CNc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H20BrCl2NO2/c1-30-24-12-18(14-29-23-8-4-6-17-5-2-3-7-19(17)23)20(26)13-25(24)31-15-16-9-10-21(27)22(28)11-16/h2-13,29H,14-15H2,1H3
InChIKeyUBQHEYARLBPXGI-UHFFFAOYSA-N
MW517.25 g/mol
LogP8.11
Rot. Bonds7

About N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine

N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine (PubChem CID 66543090) has the molecular formula C25H20BrCl2NO2 and a molecular weight of 517.25 g/mol. Its IUPAC name is N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine
PubChem CID66543090
Molecular FormulaC25H20BrCl2NO2
Molecular Weight517.25 g/mol
Exact Mass515.01
IUPAC NameN-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine
SMILESCOc1cc(CNc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H20BrCl2NO2/c1-30-24-12-18(14-29-23-8-4-6-17-5-2-3-7-19(17)23)20(26)13-25(24)31-15-16-9-10-21(27)22(28)11-16/h2-13,29H,14-15H2,1H3
InChIKeyUBQHEYARLBPXGI-UHFFFAOYSA-N
XLogP8.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.25
LogP ≤ 58.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,5-dichloroaniline
CID 66543288
3-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]-4-methoxybenzoic acid
CID 66543128
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66535220
N-[[2-bromo-4-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,4-dichloroaniline
CID 66543369
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclohexanamine
CID 66535438
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66541127
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]naphthalen-1-amine
CID 66542705
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2,5-dichloroaniline
CID 66544716
N-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]naphthalen-1-amine
CID 66542788
N-[[2-bromo-5-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]-2,5-dichloroaniline
CID 66543273
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66535290
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2,4-dichloroaniline
CID 66544823

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine?
The IUPAC name of N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine (CID 66543090) is N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine.
What is the SMILES notation for N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine?
The canonical SMILES for N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine is COc1cc(CNc2cccc3ccccc23)c(Br)cc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine?
The InChIKey is UBQHEYARLBPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrCl2NO2/c1-30-24-12-18(14-29-23-8-4-6-17-5-2-3-7-19(17)23)20(26)13-25(24)31-15-16-9-10-21(27)22(28)11-16/h2-13,29H,14-15H2,1H3.
What are the key properties of N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine?
N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine has a molecular weight of 517.25 g/mol, XLogP of 8.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]naphthalen-1-amine is sourced from PubChem (CID 66543090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).