1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine

C17H19Br2NO — CID 107977995

IUPAC1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H19Br2NO/c1-10-5-11(2)16(15(6-10)21-4)17(20-3)12-7-13(18)9-14(19)8-12/h5-9,17,20H,1-4H3
InChIKeyFKWAFZCNBAMSIC-UHFFFAOYSA-N
MW413.15 g/mol
LogP5.15
Rot. Bonds4

About 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine

1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine (PubChem CID 107977995) has the molecular formula C17H19Br2NO and a molecular weight of 413.15 g/mol. Its IUPAC name is 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
PubChem CID107977995
Molecular FormulaC17H19Br2NO
Molecular Weight413.15 g/mol
Exact Mass410.98
IUPAC Name1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)cc(Br)c1)c1c(C)cc(C)cc1OC
InChIInChI=1S/C17H19Br2NO/c1-10-5-11(2)16(15(6-10)21-4)17(20-3)12-7-13(18)9-14(19)8-12/h5-9,17,20H,1-4H3
InChIKeyFKWAFZCNBAMSIC-UHFFFAOYSA-N
XLogP5.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.15
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3-bromo-5-chlorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 107948619
1-(2-methoxy-4,6-dimethylphenyl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 106680353
(1R)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylethanamine
CID 96670588
1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 104851144
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 106680989
1-(2-fluoro-4-methylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine
CID 106682218
[(2,6-dimethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 107504825
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 106680494
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 106682307
2-(2-methoxy-4,6-dimethylphenyl)-2-(methylamino)acetonitrile
CID 116955039
(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679553
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N,2-dimethylpropan-1-amine
CID 106680743

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine (CID 107977995) is 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(Br)cc(Br)c1)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
The InChIKey is FKWAFZCNBAMSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br2NO/c1-10-5-11(2)16(15(6-10)21-4)17(20-3)12-7-13(18)9-14(19)8-12/h5-9,17,20H,1-4H3.
What are the key properties of 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine?
1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine has a molecular weight of 413.15 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromophenyl)-1-(2-methoxy-4,6-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107977995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).