2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine

C17H20BrNO — CID 63817335

IUPAC2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccc(Oc2cc(Br)ccc2CCN)cc1
InChIInChI=1S/C17H20BrNO/c1-12(2)13-4-7-16(8-5-13)20-17-11-15(18)6-3-14(17)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyHGXFQZFEHAFSOW-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.87
Rot. Bonds5

About 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine

2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 63817335) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID63817335
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccc(Oc2cc(Br)ccc2CCN)cc1
InChIInChI=1S/C17H20BrNO/c1-12(2)13-4-7-16(8-5-13)20-17-11-15(18)6-3-14(17)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3
InChIKeyHGXFQZFEHAFSOW-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
4-bromo-2-(4-propan-2-ylphenoxy)aniline
CID 65342696
2-[4-bromo-2-(3-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 63880236
[4-chloro-2-(4-propan-2-ylphenoxy)phenyl]methanamine
CID 63456564
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-[4-bromo-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63818081
2-[4-(5-bromo-2-fluorophenoxy)-2-methylphenyl]ethanamine
CID 114677126
[4-bromo-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552389
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
CID 63815071
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine (CID 63817335) is 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1ccc(Oc2cc(Br)ccc2CCN)cc1.
What is the InChIKey of 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is HGXFQZFEHAFSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12(2)13-4-7-16(8-5-13)20-17-11-15(18)6-3-14(17)9-10-19/h3-8,11-12H,9-10,19H2,1-2H3.
What are the key properties of 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine?
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63817335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).