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

C17H28BrNO2 — CID 2520136

IUPAC(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
SMILESCCCCN(CCCC)C[C@@H](O)COc1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO2/c1-3-5-11-19(12-6-4-2)13-16(20)14-21-17-9-7-15(18)8-10-17/h7-10,16,20H,3-6,11-14H2,1-2H3/t16-/m1/s1
InChIKeyDHAMFUBSTHXWDX-MRXNPFEDSA-N
MW358.32 g/mol
LogP4.09
Rot. Bonds11

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

(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol (PubChem CID 2520136) has the molecular formula C17H28BrNO2 and a molecular weight of 358.32 g/mol. Its IUPAC name is (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
PubChem CID2520136
Molecular FormulaC17H28BrNO2
Molecular Weight358.32 g/mol
Exact Mass357.13
IUPAC Name(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol
SMILESCCCCN(CCCC)C[C@@H](O)COc1ccc(Br)cc1
InChIInChI=1S/C17H28BrNO2/c1-3-5-11-19(12-6-4-2)13-16(20)14-21-17-9-7-15(18)8-10-17/h7-10,16,20H,3-6,11-14H2,1-2H3/t16-/m1/s1
InChIKeyDHAMFUBSTHXWDX-MRXNPFEDSA-N
XLogP4.09
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-bromophenoxy)-3-(diethylamino)propan-2-ol
CID 26961688
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
1-[4-(aminomethyl)phenoxy]-3-[butyl(ethyl)amino]propan-2-ol
CID 43253651
1-(4-bromophenoxy)-3-octylsulfanylpropan-2-ol
CID 21423823
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
1-(4-bromophenoxy)-3-[2-hydroxypropyl(propan-2-yl)amino]propan-2-ol
CID 111107978
1-(4-bromophenoxy)-3-(heptan-2-ylamino)propan-2-ol
CID 60635405
3-(4-bromophenoxy)-N,N-dipropylpropan-1-amine
CID 5262100
1-(4-bromophenoxy)-3-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]propan-2-ol
CID 111858683
1-[3-(aminomethyl)phenoxy]-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444597
1-(4-tert-butylphenoxy)-3-(diethylamino)propan-2-ol
CID 2843556
4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 9166143

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol?
The IUPAC name of (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol (CID 2520136) is (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol is CCCCN(CCCC)C[C@@H](O)COc1ccc(Br)cc1.
What is the InChIKey of (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol?
The InChIKey is DHAMFUBSTHXWDX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H28BrNO2/c1-3-5-11-19(12-6-4-2)13-16(20)14-21-17-9-7-15(18)8-10-17/h7-10,16,20H,3-6,11-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol?
(2R)-1-(4-bromophenoxy)-3-(dibutylamino)propan-2-ol has a molecular weight of 358.32 g/mol, XLogP of 4.09, 11 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-(dibutylamino)propan-2-ol is sourced from PubChem (CID 2520136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).