1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine

C17H19Br2NO — CID 105018419

IUPAC1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cc(Br)ccc1Br)c1ccccc1OC(C)C
InChIInChI=1S/C17H19Br2NO/c1-11(2)21-16-7-5-4-6-13(16)17(20-3)14-10-12(18)8-9-15(14)19/h4-11,17,20H,1-3H3
InChIKeyJARUUZZNPIPKLP-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.31
Rot. Bonds5

About 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine

1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 105018419) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
PubChem CID105018419
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cc(Br)ccc1Br)c1ccccc1OC(C)C
InChIInChI=1S/C17H19Br2NO/c1-11(2)21-16-7-5-4-6-13(16)17(20-3)14-10-12(18)8-9-15(14)19/h4-11,17,20H,1-3H3
InChIKeyJARUUZZNPIPKLP-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 107976659
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 81454247
[(4-bromo-2-methylphenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326074
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43482284
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(2,4-dibromophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 107946713
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
4-bromo-2-propan-2-yl-1-propan-2-yloxybenzene
CID 22039362
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2,5-dibromophenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 114369248

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine (CID 105018419) is 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine is CNC(c1cc(Br)ccc1Br)c1ccccc1OC(C)C.
What is the InChIKey of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is JARUUZZNPIPKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-11(2)21-16-7-5-4-6-13(16)17(20-3)14-10-12(18)8-9-15(14)19/h4-11,17,20H,1-3H3.
What are the key properties of 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 413.15 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 105018419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).