N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

C19H24BrN — CID 65308141

IUPACN-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24BrN/c1-6-21-19(17-11-16(20)8-7-13(17)3)18-14(4)9-12(2)10-15(18)5/h7-11,19,21H,6H2,1-5H3
InChIKeyWMTKXJXDLLCNCM-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.38
Rot. Bonds4

About N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine

N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 65308141) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID65308141
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)ccc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24BrN/c1-6-21-19(17-11-16(20)8-7-13(17)3)18-14(4)9-12(2)10-15(18)5/h7-11,19,21H,6H2,1-5H3
InChIKeyWMTKXJXDLLCNCM-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-bromo-2-methylphenyl)-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 65308089
N-[(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81110085
N-[(5-bromo-2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878329
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(5-bromo-2-methylphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827865
N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 65308243
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(5-bromo-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018537
N-[(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 63508460
N-[(4-bromophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]ethanamine
CID 106881289

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine (CID 65308141) is N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(Br)ccc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is WMTKXJXDLLCNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-6-21-19(17-11-16(20)8-7-13(17)3)18-14(4)9-12(2)10-15(18)5/h7-11,19,21H,6H2,1-5H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine?
N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 65308141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).