(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine

C11H13Br2NO — CID 102946785

IUPAC(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
SMILESC=C(Br)COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C11H13Br2NO/c1-7(12)6-15-11-5-9(13)3-4-10(11)8(2)14/h3-5,8H,1,6,14H2,2H3/t8-/m1/s1
InChIKeyLXAAQQRFXVZTMX-MRVPVSSYSA-N
MW335.04 g/mol
LogP3.76
Rot. Bonds4

About (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine

(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine (PubChem CID 102946785) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
PubChem CID102946785
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
SMILESC=C(Br)COc1cc(Br)ccc1[C@@H](C)N
InChIInChI=1S/C11H13Br2NO/c1-7(12)6-15-11-5-9(13)3-4-10(11)8(2)14/h3-5,8H,1,6,14H2,2H3/t8-/m1/s1
InChIKeyLXAAQQRFXVZTMX-MRVPVSSYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
2-[2-(1-aminoethyl)-5-bromophenoxy]acetamide
CID 102946264
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
(1S)-1-[4-bromo-2-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 102947179
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63367642
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-butan-2-ylacetamide
CID 102946716
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine (CID 102946785) is (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine is C=C(Br)COc1cc(Br)ccc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine?
The InChIKey is LXAAQQRFXVZTMX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13Br2NO/c1-7(12)6-15-11-5-9(13)3-4-10(11)8(2)14/h3-5,8H,1,6,14H2,2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine?
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine has a molecular weight of 335.04 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 102946785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).