(1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine

C13H20BrNO — CID 78937966

IUPAC(1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine
SMILESCCC(C)(C)Oc1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C13H20BrNO/c1-5-13(3,4)16-12-7-6-10(9(2)15)8-11(12)14/h6-9H,5,15H2,1-4H3/t9-/m1/s1
InChIKeyOIMQXHMRPGEVFP-SECBINFHSA-N
MW286.21 g/mol
LogP4.04
Rot. Bonds4

About (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine

(1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine (PubChem CID 78937966) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine
PubChem CID78937966
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name(1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine
SMILESCCC(C)(C)Oc1ccc([C@@H](C)N)cc1Br
InChIInChI=1S/C13H20BrNO/c1-5-13(3,4)16-12-7-6-10(9(2)15)8-11(12)14/h6-9H,5,15H2,1-4H3/t9-/m1/s1
InChIKeyOIMQXHMRPGEVFP-SECBINFHSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 62910865
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
(1R)-1-[3-bromo-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 78937706
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
1-[3-bromo-4-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 55132091
(1S)-1-[3-bromo-4-(4-ethoxyphenoxy)phenyl]ethanamine
CID 78937841
(1R)-1-[3-bromo-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 78956397
1-[3-bromo-4-(2-tert-butylphenoxy)phenyl]ethanamine
CID 63533904
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
(1S)-1-[3-bromo-4-(4-propoxyphenoxy)phenyl]ethanamine
CID 63532122
[4-[4-[(1R)-1-aminoethyl]-2-bromophenoxy]phenyl]methanol
CID 78938273

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine (CID 78937966) is (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine is CCC(C)(C)Oc1ccc([C@@H](C)N)cc1Br.
What is the InChIKey of (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine?
The InChIKey is OIMQXHMRPGEVFP-SECBINFHSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-5-13(3,4)16-12-7-6-10(9(2)15)8-11(12)14/h6-9H,5,15H2,1-4H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine?
(1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine has a molecular weight of 286.21 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-bromo-4-(2-methylbutan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 78937966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).