(2S)-2-(2-bromoanilino)-2-phenylethanol

C14H14BrNO — CID 135041919

IUPAC(2S)-2-(2-bromoanilino)-2-phenylethanol
SMILESOC[C@@H](Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H14BrNO/c15-12-8-4-5-9-13(12)16-14(10-17)11-6-2-1-3-7-11/h1-9,14,16-17H,10H2/t14-/m1/s1
InChIKeyHAWJWWRQDRUZMG-CQSZACIVSA-N
MW292.18 g/mol
LogP3.59
Rot. Bonds4

About (2S)-2-(2-bromoanilino)-2-phenylethanol

(2S)-2-(2-bromoanilino)-2-phenylethanol (PubChem CID 135041919) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is (2S)-2-(2-bromoanilino)-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-(2-bromoanilino)-2-phenylethanol
PubChem CID135041919
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name(2S)-2-(2-bromoanilino)-2-phenylethanol
SMILESOC[C@@H](Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C14H14BrNO/c15-12-8-4-5-9-13(12)16-14(10-17)11-6-2-1-3-7-11/h1-9,14,16-17H,10H2/t14-/m1/s1
InChIKeyHAWJWWRQDRUZMG-CQSZACIVSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
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2-(2-bromoanilino)-2-(7-bromo-1,3-benzodioxol-5-yl)ethanol
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CID 174809209
2-(2-bromoanilino)-2-(2,4,6-trimethylphenyl)ethanol
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2-[(2-bromophenyl)methylamino]-2-phenylethanol
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2-(2-nitroanilino)-2-phenylethanol
CID 24950496
2-(2-bromoanilino)-2-(3-ethylimidazol-4-yl)ethanol
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromoanilino)-2-phenylethanol?
The IUPAC name of (2S)-2-(2-bromoanilino)-2-phenylethanol (CID 135041919) is (2S)-2-(2-bromoanilino)-2-phenylethanol.
What is the SMILES notation for (2S)-2-(2-bromoanilino)-2-phenylethanol?
The canonical SMILES for (2S)-2-(2-bromoanilino)-2-phenylethanol is OC[C@@H](Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of (2S)-2-(2-bromoanilino)-2-phenylethanol?
The InChIKey is HAWJWWRQDRUZMG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14BrNO/c15-12-8-4-5-9-13(12)16-14(10-17)11-6-2-1-3-7-11/h1-9,14,16-17H,10H2/t14-/m1/s1.
What are the key properties of (2S)-2-(2-bromoanilino)-2-phenylethanol?
(2S)-2-(2-bromoanilino)-2-phenylethanol has a molecular weight of 292.18 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromoanilino)-2-phenylethanol is sourced from PubChem (CID 135041919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).