1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine

C16H18BrN — CID 107981867

IUPAC1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cccc(C)c1Br
InChIInChI=1S/C16H18BrN/c1-11-7-9-13(10-8-11)16(18-3)14-6-4-5-12(2)15(14)17/h4-10,16,18H,1-3H3
InChIKeyUUUPYSFJIPZBBD-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.37
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine

1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 107981867) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID107981867
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cccc(C)c1Br
InChIInChI=1S/C16H18BrN/c1-11-7-9-13(10-8-11)16(18-3)14-6-4-5-12(2)15(14)17/h4-10,16,18H,1-3H3
InChIKeyUUUPYSFJIPZBBD-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 114024192
1-(2-bromo-3-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 107981976
1-(2-bromo-3-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107982028
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107096375
[(2-bromo-3-methylphenyl)-(4-tert-butylphenyl)methyl]hydrazine
CID 107986010
1-(2-bromo-3-methylphenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 114023801
1-(2-bromo-3-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107982118
1-(2-bromo-3-methylphenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 107981875
1-(2-bromo-3-methylphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 107984997
1-(2-bromo-3-methylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107984986
1-(2-bromo-3-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 107984953
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 107981867) is 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is UUUPYSFJIPZBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-11-7-9-13(10-8-11)16(18-3)14-6-4-5-12(2)15(14)17/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 304.23 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 107981867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).