(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol

C11H15BrClNO2 — CID 7375680

IUPAC(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO2/c1-8(15)7-14-4-5-16-11-3-2-9(12)6-10(11)13/h2-3,6,8,14-15H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyPYXZJKQJGPKKMC-MRVPVSSYSA-N
MW308.60 g/mol
LogP2.45
Rot. Bonds6

About (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol

(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol (PubChem CID 7375680) has the molecular formula C11H15BrClNO2 and a molecular weight of 308.60 g/mol. Its IUPAC name is (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
PubChem CID7375680
Molecular FormulaC11H15BrClNO2
Molecular Weight308.60 g/mol
Exact Mass307.00
IUPAC Name(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C11H15BrClNO2/c1-8(15)7-14-4-5-16-11-3-2-9(12)6-10(11)13/h2-3,6,8,14-15H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyPYXZJKQJGPKKMC-MRVPVSSYSA-N
XLogP2.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.60
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(4-bromo-2-propan-2-ylphenoxy)ethylamino]propan-2-ol
CID 7375011
2-(4-bromo-2-chlorophenoxy)-N-ethylethanamine
CID 6459407
N-[2-(4-bromo-2-chlorophenoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62599602
(2S)-1-(4-bromo-2-chlorophenoxy)propan-2-ol
CID 106933022
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-1-amine
CID 2297485
(2R)-N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2181982
N-[3-(4-bromo-2-chlorophenoxy)propyl]butan-2-amine
CID 2934466
3-[3-chloro-4-[2-[[(2S)-2-hydroxypropyl]amino]ethoxy]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 11602285
2-(4-bromo-2-chlorophenoxy)ethanol
CID 23090761
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-methylurea
CID 108882470
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(4-propan-2-ylphenyl)urea
CID 108882287
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol (CID 7375680) is (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol is C[C@@H](O)CNCCOc1ccc(Br)cc1Cl.
What is the InChIKey of (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol?
The InChIKey is PYXZJKQJGPKKMC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15BrClNO2/c1-8(15)7-14-4-5-16-11-3-2-9(12)6-10(11)13/h2-3,6,8,14-15H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol?
(2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol has a molecular weight of 308.60 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-bromo-2-chlorophenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 7375680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).