1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine

C16H18BrNO — CID 63801992

IUPAC1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(Br)ccc1Oc1ccccc1CC(C)N
InChIInChI=1S/C16H18BrNO/c1-11-9-14(17)7-8-15(11)19-16-6-4-3-5-13(16)10-12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyRGPJATQUSRMQOI-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.44
Rot. Bonds4

About 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine

1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine (PubChem CID 63801992) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
PubChem CID63801992
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
SMILESCc1cc(Br)ccc1Oc1ccccc1CC(C)N
InChIInChI=1S/C16H18BrNO/c1-11-9-14(17)7-8-15(11)19-16-6-4-3-5-13(16)10-12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyRGPJATQUSRMQOI-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
CID 63803114
1-[2-(2,3-dimethylphenoxy)phenyl]propan-2-amine
CID 63817683
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
1-[2-(3-bromo-5-fluorophenoxy)phenyl]propan-2-amine
CID 81325789
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
1-[2-(4-bromo-2-fluorophenoxy)phenyl]butan-2-amine
CID 63815769
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
CID 114677140
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
(1R)-1-[4-(4-bromo-2-methylphenoxy)phenyl]ethanamine
CID 78938448
1-[5-chloro-2-(4-fluoro-2-methylphenoxy)phenyl]propan-2-amine
CID 114863411

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine (CID 63801992) is 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine is Cc1cc(Br)ccc1Oc1ccccc1CC(C)N.
What is the InChIKey of 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine?
The InChIKey is RGPJATQUSRMQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-11-9-14(17)7-8-15(11)19-16-6-4-3-5-13(16)10-12(2)18/h3-9,12H,10,18H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine?
1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63801992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).