N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine

C18H22BrN — CID 115850255

IUPACN-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1C)c1cccc(C)c1C
InChIInChI=1S/C18H22BrN/c1-5-20-18(16-10-9-15(19)11-13(16)3)17-8-6-7-12(2)14(17)4/h6-11,18,20H,5H2,1-4H3
InChIKeyUDORFPLLMZEBGH-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.07
Rot. Bonds4

About N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine

N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 115850255) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID115850255
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Br)cc1C)c1cccc(C)c1C
InChIInChI=1S/C18H22BrN/c1-5-20-18(16-10-9-15(19)11-13(16)3)17-8-6-7-12(2)14(17)4/h6-11,18,20H,5H2,1-4H3
InChIKeyUDORFPLLMZEBGH-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-bromo-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859674
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(4-bromo-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 43629866
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-fluorophenyl)-(3-bromo-2-methylphenyl)methyl]ethanamine
CID 105011782
N-[(5-bromo-2-ethoxyphenyl)-(2-methylphenyl)methyl]ethanamine
CID 43493559
N-[(5-bromo-2-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852352
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43805274
N-[(2,3-dimethylphenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81157055
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(4-bromo-2-methylphenyl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 80535141

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 115850255) is N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(Br)cc1C)c1cccc(C)c1C.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is UDORFPLLMZEBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-5-20-18(16-10-9-15(19)11-13(16)3)17-8-6-7-12(2)14(17)4/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 332.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methylphenyl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115850255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).