(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol

C17H20BrNO — CID 103522284

IUPAC(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cc1ccc(Br)cc1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-13(11-14-7-9-16(18)10-8-14)19-17(12-20)15-5-3-2-4-6-15/h2-10,13,17,19-20H,11-12H2,1H3/t13?,17-/m0/s1
InChIKeyQBUQVKMSWIQEOV-RUINGEJQSA-N
MW334.26 g/mol
LogP3.70
Rot. Bonds6

About (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol

(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol (PubChem CID 103522284) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
PubChem CID103522284
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
SMILESCC(Cc1ccc(Br)cc1)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H20BrNO/c1-13(11-14-7-9-16(18)10-8-14)19-17(12-20)15-5-3-2-4-6-15/h2-10,13,17,19-20H,11-12H2,1H3/t13?,17-/m0/s1
InChIKeyQBUQVKMSWIQEOV-RUINGEJQSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
2-[1-(4-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 115720367
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-3-phenylpropan-1-ol
CID 103522475
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
(2R)-2-[1-(3-fluorophenyl)propan-2-ylamino]-2-phenylethanol
CID 103788672
N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
CID 43695964
2-(4-bromophenyl)-1-(1-phenylethylamino)ethanol
CID 91423309

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol?
The IUPAC name of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol (CID 103522284) is (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol is CC(Cc1ccc(Br)cc1)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol?
The InChIKey is QBUQVKMSWIQEOV-RUINGEJQSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-13(11-14-7-9-16(18)10-8-14)19-17(12-20)15-5-3-2-4-6-15/h2-10,13,17,19-20H,11-12H2,1H3/t13?,17-/m0/s1.
What are the key properties of (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol?
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol has a molecular weight of 334.26 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol is sourced from PubChem (CID 103522284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).