(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol

C13H20BrNO2 — CID 26961688

IUPAC(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-3-15(4-2)9-12(16)10-17-13-7-5-11(14)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyIRKZAIFWNBNXBN-GFCCVEGCSA-N
MW302.21 g/mol
LogP2.53
Rot. Bonds7

About (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol

(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol (PubChem CID 26961688) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
PubChem CID26961688
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)C[C@@H](O)COc1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO2/c1-3-15(4-2)9-12(16)10-17-13-7-5-11(14)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3/t12-/m1/s1
InChIKeyIRKZAIFWNBNXBN-GFCCVEGCSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
CID 2520136
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107978
1-(diethylamino)-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-ol
CID 18807375
1-(diethylamino)-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 2769832
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
1-(4-aminophenoxy)-3-[ethyl(2-ethylbutyl)amino]propan-2-ol
CID 43587427
1-(4-bromophenoxy)-3-octylsulfanylpropan-2-ol
CID 21423823
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-(diethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 4597513
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol?
The IUPAC name of (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol (CID 26961688) is (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol is CCN(CC)C[C@@H](O)COc1ccc(Br)cc1.
What is the InChIKey of (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol?
The InChIKey is IRKZAIFWNBNXBN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-3-15(4-2)9-12(16)10-17-13-7-5-11(14)6-8-13/h5-8,12,16H,3-4,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol?
(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol has a molecular weight of 302.21 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 26961688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).