2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine

C16H18BrNO — CID 63802592

IUPAC2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
SMILESCc1ccc(C)c(Oc2cc(Br)ccc2CCN)c1
InChIInChI=1S/C16H18BrNO/c1-11-3-4-12(2)15(9-11)19-16-10-14(17)6-5-13(16)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyKCIATNCCJBTSCR-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.36
Rot. Bonds4

About 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine

2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine (PubChem CID 63802592) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
PubChem CID63802592
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
SMILESCc1ccc(C)c(Oc2cc(Br)ccc2CCN)c1
InChIInChI=1S/C16H18BrNO/c1-11-3-4-12(2)15(9-11)19-16-10-14(17)6-5-13(16)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyKCIATNCCJBTSCR-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

[2-(2,5-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62308844
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
2-[4-(5-bromo-2-methylphenoxy)-3,5-difluorophenyl]ethanamine
CID 107286734
4-bromo-2-(2,5-dimethylphenoxy)benzaldehyde
CID 43364705
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine (CID 63802592) is 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine is Cc1ccc(C)c(Oc2cc(Br)ccc2CCN)c1.
What is the InChIKey of 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine?
The InChIKey is KCIATNCCJBTSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-3-4-12(2)15(9-11)19-16-10-14(17)6-5-13(16)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine?
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]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-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63802592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).