2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine

C16H18BrNO — CID 107726956

IUPAC2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
SMILESCc1cc(Oc2ccc(CCN)cc2)cc(C)c1Br
InChIInChI=1S/C16H18BrNO/c1-11-9-15(10-12(2)16(11)17)19-14-5-3-13(4-6-14)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyPZRCBRCAMBRRRU-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.36
Rot. Bonds4

About 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine

2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine (PubChem CID 107726956) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
PubChem CID107726956
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine
SMILESCc1cc(Oc2ccc(CCN)cc2)cc(C)c1Br
InChIInChI=1S/C16H18BrNO/c1-11-9-15(10-12(2)16(11)17)19-14-5-3-13(4-6-14)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeyPZRCBRCAMBRRRU-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-[4-(4-methylphenoxy)phenyl]ethanamine
CID 20985599
1-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 107726916
2-[6-(4-bromo-3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 107727015
2-[4-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanamine
CID 55239141
4-[4-(2-aminoethyl)phenoxy]-2,6-diiodophenol;hydrochloride
CID 11497243
4-[3-(4-bromo-3,5-dimethylphenoxy)propyl]aniline
CID 107724479
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methanamine
CID 20993580
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
2-[4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 63801979
4-(4-bromo-3,5-dimethylphenoxy)benzenecarboximidamide
CID 107724678

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine (CID 107726956) is 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine is Cc1cc(Oc2ccc(CCN)cc2)cc(C)c1Br.
What is the InChIKey of 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine?
The InChIKey is PZRCBRCAMBRRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-9-15(10-12(2)16(11)17)19-14-5-3-13(4-6-14)7-8-18/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine?
2-[4-(4-bromo-3,5-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-(4-bromo-3,5-dimethylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 107726956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).