N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine

C18H22BrN — CID 115796785

IUPACN-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1cc(C)ccc1Br
InChIInChI=1S/C18H22BrN/c1-5-20-18(15-9-13(3)8-14(4)10-15)16-11-12(2)6-7-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyZEDCIRHRMPYIQM-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.07
Rot. Bonds4

About N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine

N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 115796785) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID115796785
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC NameN-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1cc(C)ccc1Br
InChIInChI=1S/C18H22BrN/c1-5-20-18(15-9-13(3)8-14(4)10-15)16-11-12(2)6-7-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyZEDCIRHRMPYIQM-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-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796773
N-[(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81110085
N-[(3-bromo-4-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 81109551
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(3,5-dimethylphenyl)-(2-methoxy-4-methylphenyl)methyl]ethanamine
CID 106792320
N-[(2-bromo-5-methylphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115815855
N-[(2-bromo-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 81110568
N-[(2-bromo-5-methylphenyl)-(5-ethoxy-3-pyridinyl)methyl]ethanamine
CID 105026416
N-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(2-bromo-5-methylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 81110691
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-bromo-5-methylphenyl)methyl]ethanamine
CID 106764876
1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978438

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine (CID 115796785) is N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1cc(C)ccc1Br.
What is the InChIKey of N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is ZEDCIRHRMPYIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-5-20-18(15-9-13(3)8-14(4)10-15)16-11-12(2)6-7-17(16)19/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine?
N-[(2-bromo-5-methylphenyl)-(3,5-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-[(2-bromo-5-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 115796785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).