(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol

C19H23NO — CID 11448905

IUPAC(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
SMILESC=CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO/c1-3-7-18(17-12-10-15(2)11-13-17)20-19(14-21)16-8-5-4-6-9-16/h3-6,8-13,18-21H,1,7,14H2,2H3/t18-,19+/m1/s1
InChIKeyQOZAHJSFMYCXLS-MOPGFXCFSA-N
MW281.40 g/mol
LogP3.94
Rot. Bonds7

About (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol

(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol (PubChem CID 11448905) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
PubChem CID11448905
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
SMILESC=CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C19H23NO/c1-3-7-18(17-12-10-15(2)11-13-17)20-19(14-21)16-8-5-4-6-9-16/h3-6,8-13,18-21H,1,7,14H2,2H3/t18-,19+/m1/s1
InChIKeyQOZAHJSFMYCXLS-MOPGFXCFSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol
CID 11392226
(2S)-2-phenyl-2-[[(4R)-tridec-1-en-4-yl]amino]ethanol
CID 101125400
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
N-ethyl-1-(4-phenylphenyl)but-3-en-1-amine
CID 116660811
(1S)-N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylbut-3-en-1-amine
CID 15246558
1-phenylbut-3-enylhydrazine
CID 105199312
2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 55158261
(2S)-2-[1-(4-bromophenyl)ethylamino]-2-phenylethanol
CID 103729730

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol (CID 11448905) is (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol is C=CC[C@@H](N[C@@H](CO)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol?
The InChIKey is QOZAHJSFMYCXLS-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-7-18(17-12-10-15(2)11-13-17)20-19(14-21)16-8-5-4-6-9-16/h3-6,8-13,18-21H,1,7,14H2,2H3/t18-,19+/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol?
(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol has a molecular weight of 281.40 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol is sourced from PubChem (CID 11448905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).