(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol

C21H27NO2 — CID 46868747

IUPAC(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol
SMILESC=C[C@H](COCc1ccccc1)[C@H](C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-19(16-24-15-18-10-6-4-7-11-18)17(2)22-21(14-23)20-12-8-5-9-13-20/h3-13,17,19,21-23H,1,14-16H2,2H3/t17-,19+,21-/m0/s1
InChIKeyUVWAEAXDRNAKKS-DSKINZAPSA-N
MW325.45 g/mol
LogP3.72
Rot. Bonds10

About (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol

(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol (PubChem CID 46868747) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol
PubChem CID46868747
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol
SMILESC=C[C@H](COCc1ccccc1)[C@H](C)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C21H27NO2/c1-3-19(16-24-15-18-10-6-4-7-11-18)17(2)22-21(14-23)20-12-8-5-9-13-20/h3-13,17,19,21-23H,1,14-16H2,2H3/t17-,19+,21-/m0/s1
InChIKeyUVWAEAXDRNAKKS-DSKINZAPSA-N
XLogP3.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
CID 10880992
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
N-(1-phenyl-2-phenylmethoxyethyl)acetamide
CID 75373023
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
propan-2-yl (3R,4S)-3-methyl-2-oxo-4-(phenylmethoxymethyl)hex-5-enoate
CID 25229028
(3-hydroxy-4-methyl-1-phenylmethoxyhex-5-en-2-yl)carbamic acid
CID 67134578
1-(1-phenylmethoxypropan-2-yloxy)prop-2-enylbenzene
CID 174583754
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-methyl-3-phenylmethoxypropanamide
CID 134936429
2-(1-methoxypropan-2-ylamino)-2-phenylethanol
CID 63182604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol?
The IUPAC name of (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol (CID 46868747) is (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol?
The canonical SMILES for (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol is C=C[C@H](COCc1ccccc1)[C@H](C)N[C@@H](CO)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol?
The InChIKey is UVWAEAXDRNAKKS-DSKINZAPSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-19(16-24-15-18-10-6-4-7-11-18)17(2)22-21(14-23)20-12-8-5-9-13-20/h3-13,17,19,21-23H,1,14-16H2,2H3/t17-,19+,21-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol?
(2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol has a molecular weight of 325.45 g/mol, XLogP of 3.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[(2S,3S)-3-(phenylmethoxymethyl)pent-4-en-2-yl]amino]ethanol is sourced from PubChem (CID 46868747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).