1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine

C17H20BrNO — CID 82976372

IUPAC1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccccc1Oc1ccc(Br)cc1C(C)N
InChIInChI=1S/C17H20BrNO/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(18)10-15(17)12(3)19/h4-12H,19H2,1-3H3
InChIKeyRFQGMAVNQSMLAM-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.38
Rot. Bonds4

About 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine

1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine (PubChem CID 82976372) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
PubChem CID82976372
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
SMILESCC(C)c1ccccc1Oc1ccc(Br)cc1C(C)N
InChIInChI=1S/C17H20BrNO/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(18)10-15(17)12(3)19/h4-12H,19H2,1-3H3
InChIKeyRFQGMAVNQSMLAM-UHFFFAOYSA-N
XLogP5.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]-N-methylethanamine
CID 82956259
1-[3-bromo-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63533635
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
(1S)-1-[2-(4-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 28971365
2-(4-bromo-2-propan-2-ylphenoxy)benzamide
CID 115402255
2-[2-(1-aminoethyl)-4-bromophenoxy]-6-fluorobenzonitrile
CID 82975947
(1S)-1-(5-bromo-2-propan-2-yloxyphenyl)ethanamine
CID 78936916
1-[5-bromo-2-(3-chlorophenoxy)phenyl]ethanamine
CID 82975717
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
1-[4-bromo-2-(2-methylphenoxy)phenyl]ethanamine
CID 82976080
1-[4-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402372
4-bromo-2-(2-propan-2-ylphenoxy)benzoic acid
CID 43364865

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The IUPAC name of 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine (CID 82976372) is 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine is CC(C)c1ccccc1Oc1ccc(Br)cc1C(C)N.
What is the InChIKey of 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
The InChIKey is RFQGMAVNQSMLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11(2)14-6-4-5-7-16(14)20-17-9-8-13(18)10-15(17)12(3)19/h4-12H,19H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine?
1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine has a molecular weight of 334.26 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(2-propan-2-ylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 82976372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).