1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine

C17H19Br2NO — CID 107976659

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

About 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine

1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 107976659) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
PubChem CID107976659
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1ccccc1OC(C)C
InChIInChI=1S/C17H19Br2NO/c1-11(2)21-16-7-5-4-6-15(16)17(20-3)12-8-13(18)10-14(19)9-12/h4-11,17,20H,1-3H3
InChIKeyMGWYLJYWZKBEIG-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-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018419
(3,5-dibromophenyl)-(2-propan-2-yloxyphenyl)methanol
CID 107978570
1-(3,5-dibromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114022874
1-(3,5-dibromophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 107976936
1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
[(3,5-dibromophenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 114023418
N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105018303
[(4-bromo-2-methylphenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326074
[(4-bromo-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 105326153
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 104659871
1-(3-bromo-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 66423844
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine (CID 107976659) is 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine is CNC(c1cc(Br)cc(Br)c1)c1ccccc1OC(C)C.
What is the InChIKey of 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is MGWYLJYWZKBEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-11(2)21-16-7-5-4-6-15(16)17(20-3)12-8-13(18)10-14(19)9-12/h4-11,17,20H,1-3H3.
What are the key properties of 1-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine?
1-(3,5-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-(3,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 107976659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).