(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine

C11H13BrClNO — CID 102946834

IUPAC(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OC/C=C/Cl
InChIInChI=1S/C11H13BrClNO/c1-8(14)10-4-3-9(12)7-11(10)15-6-2-5-13/h2-5,7-8H,6,14H2,1H3/b5-2+/t8-/m1/s1
InChIKeyILRUDSSEPWGZIR-IBDUZEINSA-N
MW290.59 g/mol
LogP3.60
Rot. Bonds4

About (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine

(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine (PubChem CID 102946834) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
PubChem CID102946834
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Br)cc1OC/C=C/Cl
InChIInChI=1S/C11H13BrClNO/c1-8(14)10-4-3-9(12)7-11(10)15-6-2-5-13/h2-5,7-8H,6,14H2,1H3/b5-2+/t8-/m1/s1
InChIKeyILRUDSSEPWGZIR-IBDUZEINSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-bromo-2-(3-chloroprop-2-enoxy)phenyl]ethanamine
CID 78937109
1-(4-bromo-2-prop-2-enoxyphenyl)ethanamine
CID 102946292
(1S)-1-[4-bromo-2-[(E)-3-phenylprop-2-enoxy]phenyl]ethanamine
CID 102947278
4-bromo-1-[(E)-3-chloroprop-2-enoxy]-2-propan-2-ylbenzene
CID 115402053
1-[5-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]propan-2-amine
CID 60907332
1-[4-bromo-2-(2-fluoroethoxy)phenyl]ethanamine
CID 102946431
1-[4-bromo-2-(ethoxymethoxy)phenyl]ethanamine
CID 102946236
(1R)-1-[4-bromo-2-(2,2,2-trifluoroethoxy)phenyl]ethanamine
CID 102946643
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
4-[2-[(1S)-1-aminoethyl]-5-bromophenoxy]butan-2-ol
CID 102947266
(1R)-1-(4-bromo-2-heptoxyphenyl)ethanamine
CID 102946514
1-[4-bromo-2-(2-methylsulfanylethoxy)phenyl]ethanamine
CID 102946275

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine (CID 102946834) is (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine is C[C@@H](N)c1ccc(Br)cc1OC/C=C/Cl.
What is the InChIKey of (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
The InChIKey is ILRUDSSEPWGZIR-IBDUZEINSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-8(14)10-4-3-9(12)7-11(10)15-6-2-5-13/h2-5,7-8H,6,14H2,1H3/b5-2+/t8-/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine?
(1R)-1-[4-bromo-2-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine has a molecular weight of 290.59 g/mol, XLogP of 3.60, 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-[(E)-3-chloroprop-2-enoxy]phenyl]ethanamine is sourced from PubChem (CID 102946834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).