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

C16H17Br2N — CID 43482284

IUPAC1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Br)c1cccc(C)c1C
InChIInChI=1S/C16H17Br2N/c1-10-5-4-6-13(11(10)2)16(19-3)14-9-12(17)7-8-15(14)18/h4-9,16,19H,1-3H3
InChIKeyPTXGJECYNSVIII-UHFFFAOYSA-N
MW383.13 g/mol
LogP5.14
Rot. Bonds3

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

1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (PubChem CID 43482284) has the molecular formula C16H17Br2N and a molecular weight of 383.13 g/mol. Its IUPAC name is 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
PubChem CID43482284
Molecular FormulaC16H17Br2N
Molecular Weight383.13 g/mol
Exact Mass380.97
IUPAC Name1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)ccc1Br)c1cccc(C)c1C
InChIInChI=1S/C16H17Br2N/c1-10-5-4-6-13(11(10)2)16(19-3)14-9-12(17)7-8-15(14)18/h4-9,16,19H,1-3H3
InChIKeyPTXGJECYNSVIII-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.13
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 81454247
1-(2,5-dibromothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 43486963
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2-chloro-4,5-dimethylphenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 115483934
1-(5-bromo-2-methoxyphenyl)-1-(2-bromo-5-methylphenyl)-N-methylmethanamine
CID 81110564
1-(2,5-dibromophenyl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018419
1-(3-bromo-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990397
1-(2,5-dibromophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43482198
1-(2,3-dimethylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55085138
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850255

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine (CID 43482284) is 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(Br)ccc1Br)c1cccc(C)c1C.
What is the InChIKey of 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
The InChIKey is PTXGJECYNSVIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br2N/c1-10-5-4-6-13(11(10)2)16(19-3)14-9-12(17)7-8-15(14)18/h4-9,16,19H,1-3H3.
What are the key properties of 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine?
1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine has a molecular weight of 383.13 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43482284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).