[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium

C12H19BrNO+ — CID 7233361

IUPAC[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-9(2)14-8-12(3,15)10-4-6-11(13)7-5-10/h4-7,9,14-15H,8H2,1-3H3/p+1/t12-/m0/s1
InChIKeyIGTZDVBKNWALAL-LBPRGKRZSA-O
MW273.19 g/mol
LogP1.63
Rot. Bonds4

About [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium

[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium (PubChem CID 7233361) has the molecular formula C12H19BrNO+ and a molecular weight of 273.19 g/mol. Its IUPAC name is [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium
PubChem CID7233361
Molecular FormulaC12H19BrNO+
Molecular Weight273.19 g/mol
Exact Mass272.06
IUPAC Name[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1
InChIInChI=1S/C12H18BrNO/c1-9(2)14-8-12(3,15)10-4-6-11(13)7-5-10/h4-7,9,14-15H,8H2,1-3H3/p+1/t12-/m0/s1
InChIKeyIGTZDVBKNWALAL-LBPRGKRZSA-O
XLogP1.63
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium
CID 6954872
(2R)-2-(4-bromophenyl)butan-2-ol
CID 15642444
1-amino-2-(4-bromophenyl)propan-2-ol
CID 19424694
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926
(2R,3R)-2,3-bis(4-bromophenyl)butane-2,3-diol
CID 100920235
(2S)-3-amino-2-(4-bromophenyl)butan-2-ol
CID 153252372
2-[4-(4-bromophenyl)phenyl]-4-fluorobutan-2-ol
CID 21396520
3-(4-bromophenyl)-3-hydroxy-2-methylbutanenitrile
CID 79131056
2-(4-bromophenyl)hept-5-yn-2-ol
CID 104809274
2-(4-bromophenyl)-1-(2-chloro-6-fluorophenyl)propan-2-ol
CID 63406670
[2-(4-bromophenyl)-2-hydroxypropyl] acetate
CID 126832799
1-azido-2-(4-bromophenyl)propan-2-ol
CID 122364267

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium?
The IUPAC name of [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium (CID 7233361) is [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium.
What is the SMILES notation for [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium?
The canonical SMILES for [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium is CC(C)[NH2+]C[C@](C)(O)c1ccc(Br)cc1.
What is the InChIKey of [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium?
The InChIKey is IGTZDVBKNWALAL-LBPRGKRZSA-O. The full InChI is InChI=1S/C12H18BrNO/c1-9(2)14-8-12(3,15)10-4-6-11(13)7-5-10/h4-7,9,14-15H,8H2,1-3H3/p+1/t12-/m0/s1.
What are the key properties of [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium?
[(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium has a molecular weight of 273.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-bromophenyl)-2-hydroxypropyl]-propan-2-ylazanium is sourced from PubChem (CID 7233361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).