2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine

C16H18BrNO — CID 63802463

IUPAC2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2C)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-11-3-5-16(14(17)9-11)19-15-6-4-13(7-8-18)10-12(15)2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyHVSBPMRKPIPYOM-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.36
Rot. Bonds4

About 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine

2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine (PubChem CID 63802463) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
PubChem CID63802463
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine
SMILESCc1ccc(Oc2ccc(CCN)cc2C)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-11-3-5-16(14(17)9-11)19-15-6-4-13(7-8-18)10-12(15)2/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyHVSBPMRKPIPYOM-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
2-[4-(4-bromo-2-fluorophenoxy)-3-methylphenyl]ethanamine
CID 55238939
2-[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63801942
2-[4-(5-bromo-2,3-difluorophenoxy)-3-methylphenyl]ethanamine
CID 107102003
2-[3-bromo-4-[(5-methyl-2-pyridinyl)oxy]phenyl]ethanamine
CID 67952588
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
2-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]ethanamine
CID 81326331
2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803808
[4-(2,4-dimethylphenoxy)-3-fluorophenyl]methanamine
CID 28966023
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
CID 158549441
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine (CID 63802463) is 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine is Cc1ccc(Oc2ccc(CCN)cc2C)c(Br)c1.
What is the InChIKey of 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine?
The InChIKey is HVSBPMRKPIPYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-3-5-16(14(17)9-11)19-15-6-4-13(7-8-18)10-12(15)2/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine?
2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine has a molecular weight of 320.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-4-methylphenoxy)-3-methylphenyl]ethanamine is sourced from PubChem (CID 63802463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).