1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine

C11H14BrNO — CID 102946292

IUPAC1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1cc(Br)ccc1C(C)N
InChIInChI=1S/C11H14BrNO/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h3-5,7-8H,1,6,13H2,2H3
InChIKeyJQAYUJITJGXZSC-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine

1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine (PubChem CID 102946292) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
PubChem CID102946292
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
SMILESC=CCOc1cc(Br)ccc1C(C)N
InChIInChI=1S/C11H14BrNO/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h3-5,7-8H,1,6,13H2,2H3
InChIKeyJQAYUJITJGXZSC-UHFFFAOYSA-N
XLogP3.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
CID 102946834
1-(4-bromo-2-prop-2-enoxyphenyl)-N-methylethanamine
CID 102947422
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 102947278
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
1-(5-bromo-2-prop-2-enoxyphenyl)propan-2-amine
CID 60907452
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179
2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
CID 102946264
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine (CID 102946292) is 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine is C=CCOc1cc(Br)ccc1C(C)N.
What is the InChIKey of 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine?
The InChIKey is JQAYUJITJGXZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-3-6-14-11-7-9(12)4-5-10(11)8(2)13/h3-5,7-8H,1,6,13H2,2H3.
What are the key properties of 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine?
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine has a molecular weight of 256.14 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine is sourced from PubChem (CID 102946292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).