(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol

C11H14BrNO — CID 86786798

IUPAC(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
SMILESC=C(Br)CN[C@H](CO)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-9(12)7-13-11(8-14)10-5-3-2-4-6-10/h2-6,11,13-14H,1,7-8H2/t11-/m1/s1
InChIKeyBTEABZOASILWJG-LLVKDONJSA-N
MW256.14 g/mol
LogP2.22
Rot. Bonds5

About (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol

(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol (PubChem CID 86786798) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
PubChem CID86786798
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol
SMILESC=C(Br)CN[C@H](CO)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-9(12)7-13-11(8-14)10-5-3-2-4-6-10/h2-6,11,13-14H,1,7-8H2/t11-/m1/s1
InChIKeyBTEABZOASILWJG-LLVKDONJSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-1-phenylbutan-1-amine
CID 115717128
N-(2-bromoprop-2-enyl)-2-methyl-1-phenylpropan-1-amine
CID 115745130
2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]-1-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 141188870
(2R)-2-(but-3-enylamino)-2-phenylethanol
CID 14716014
2-(hydroxyamino)-2-phenylethanol
CID 12782000
2-(but-2-ynylamino)-2-phenylethanol
CID 63183049
4-[(2-hydroxy-1-phenylethyl)amino]butan-1-ol
CID 63183327
tert-butyl 2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetate
CID 15391419
2-[(2-bromophenyl)methylamino]-2-phenylethanol
CID 6613037
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
N-(2,6-dimethylphenyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 110012993

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol?
The IUPAC name of (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol (CID 86786798) is (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol is C=C(Br)CN[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol?
The InChIKey is BTEABZOASILWJG-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-9(12)7-13-11(8-14)10-5-3-2-4-6-10/h2-6,11,13-14H,1,7-8H2/t11-/m1/s1.
What are the key properties of (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol?
(2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol has a molecular weight of 256.14 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromoprop-2-enylamino)-2-phenylethanol is sourced from PubChem (CID 86786798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).