N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline

C26H23Br2NO — CID 126125357

IUPACN-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c1C
InChIInChI=1S/C26H23Br2NO/c1-17-7-5-12-25(18(17)2)29-15-21-13-22(27)14-24(28)26(21)30-16-20-10-6-9-19-8-3-4-11-23(19)20/h3-14,29H,15-16H2,1-2H3
InChIKeyRSQVFOZIGFJZSM-UHFFFAOYSA-N
MW525.28 g/mol
LogP8.17
Rot. Bonds6

About N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline

N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline (PubChem CID 126125357) has the molecular formula C26H23Br2NO and a molecular weight of 525.28 g/mol. Its IUPAC name is N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline.

Molecular Properties

Compound NameN-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
PubChem CID126125357
Molecular FormulaC26H23Br2NO
Molecular Weight525.28 g/mol
Exact Mass523.01
IUPAC NameN-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
SMILESCc1cccc(NCc2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c1C
InChIInChI=1S/C26H23Br2NO/c1-17-7-5-12-25(18(17)2)29-15-21-13-22(27)14-24(28)26(21)30-16-20-10-6-9-19-8-3-4-11-23(19)20/h3-14,29H,15-16H2,1-2H3
InChIKeyRSQVFOZIGFJZSM-UHFFFAOYSA-N
XLogP8.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.28
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-2-propoxyphenyl)methyl]-2,3-dimethylaniline
CID 126126469
N-[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126123853
N-[[3,5-dibromo-2-[(4-nitrophenyl)methoxy]phenyl]methyl]-2,3-dimethylaniline
CID 126124844
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-methylaniline
CID 43766092
N-[[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126126160
2,4-dibromo-6-[(2,3-dimethylanilino)methyl]phenol
CID 126128843
N-[[3-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline
CID 126118437
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2,3-dimethylaniline
CID 126123491
N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline
CID 126121639
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-3-fluoro-2-methylaniline
CID 63454694
2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28524236
N-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methyl]-4-methylaniline
CID 126118689

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The IUPAC name of N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline (CID 126125357) is N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline.
What is the SMILES notation for N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The canonical SMILES for N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline is Cc1cccc(NCc2cc(Br)cc(Br)c2OCc2cccc3ccccc23)c1C.
What is the InChIKey of N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
The InChIKey is RSQVFOZIGFJZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Br2NO/c1-17-7-5-12-25(18(17)2)29-15-21-13-22(27)14-24(28)26(21)30-16-20-10-6-9-19-8-3-4-11-23(19)20/h3-14,29H,15-16H2,1-2H3.
What are the key properties of N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline?
N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline has a molecular weight of 525.28 g/mol, XLogP of 8.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2,3-dimethylaniline is sourced from PubChem (CID 126125357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).