1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

C17H20BrN — CID 64990154

IUPAC1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-11-9-13(3)15(10-12(11)2)17(19-4)14-7-5-6-8-16(14)18/h5-10,17,19H,1-4H3
InChIKeyKLDQQFIRXXLWAM-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.68
Rot. Bonds3

About 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine

1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (PubChem CID 64990154) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
PubChem CID64990154
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
SMILESCNC(c1cc(C)c(C)cc1C)c1ccccc1Br
InChIInChI=1S/C17H20BrN/c1-11-9-13(3)15(10-12(11)2)17(19-4)14-7-5-6-8-16(14)18/h5-10,17,19H,1-4H3
InChIKeyKLDQQFIRXXLWAM-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990397
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135
1-(2-bromophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 55079167
1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155894
1-(2,5-dibromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43482299
1-(2-bromophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43486700
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(2-bromo-5-methylphenyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 105032785
N-[(2-bromophenyl)-(2-chloro-4,5-dimethylphenyl)methyl]propan-1-amine
CID 115484144
1-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 64989956

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine (CID 64990154) is 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is CNC(c1cc(C)c(C)cc1C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is KLDQQFIRXXLWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-11-9-13(3)15(10-12(11)2)17(19-4)14-7-5-6-8-16(14)18/h5-10,17,19H,1-4H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine?
1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 318.26 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 64990154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).