(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine

C11H13BrClNO — CID 63367642

IUPAC(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
SMILESC=C(Cl)COc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C11H13BrClNO/c1-7(13)6-15-11-4-3-9(12)5-10(11)8(2)14/h3-5,8H,1,6,14H2,2H3/t8-/m1/s1
InChIKeyZKLYQOYGHBJYJV-MRVPVSSYSA-N
MW290.59 g/mol
LogP3.60
Rot. Bonds4

About (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine

(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine (PubChem CID 63367642) has the molecular formula C11H13BrClNO and a molecular weight of 290.59 g/mol. Its IUPAC name is (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
PubChem CID63367642
Molecular FormulaC11H13BrClNO
Molecular Weight290.59 g/mol
Exact Mass288.99
IUPAC Name(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
SMILESC=C(Cl)COc1ccc(Br)cc1[C@@H](C)N
InChIInChI=1S/C11H13BrClNO/c1-7(13)6-15-11-4-3-9(12)5-10(11)8(2)14/h3-5,8H,1,6,14H2,2H3/t8-/m1/s1
InChIKeyZKLYQOYGHBJYJV-MRVPVSSYSA-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-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63366958
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 78937363
(1R)-1-[4-bromo-2-(2-bromoprop-2-enoxy)phenyl]ethanamine
CID 102946785
(1S)-1-[5-bromo-2-(3-chloroprop-2-enoxy)phenyl]ethanamine
CID 78937109
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-prop-2-ynylacetamide
CID 62369865
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-propylacetamide
CID 62369378
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-phenylacetamide
CID 62369379
5-bromo-2-(2-chloroprop-2-enoxy)benzonitrile
CID 80602742
(1R)-1-[5-bromo-2-(3-methoxypropoxy)phenyl]ethanamine
CID 63367943
[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol
CID 28981464

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine (CID 63367642) is (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine is C=C(Cl)COc1ccc(Br)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
The InChIKey is ZKLYQOYGHBJYJV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13BrClNO/c1-7(13)6-15-11-4-3-9(12)5-10(11)8(2)14/h3-5,8H,1,6,14H2,2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine?
(1R)-1-[5-bromo-2-(2-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-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine is sourced from PubChem (CID 63367642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).