2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol

C24H25NO — CID 101211105

IUPAC2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
SMILESC=CC[C@@](N[C@H](C)c1ccccc1)(c1ccccc1)c1ccccc1O
InChIInChI=1S/C24H25NO/c1-3-18-24(21-14-8-5-9-15-21,22-16-10-11-17-23(22)26)25-19(2)20-12-6-4-7-13-20/h3-17,19,25-26H,1,18H2,2H3/t19-,24-/m1/s1
InChIKeyKFPMTCSBRZOUGT-NTKDMRAZSA-N
MW343.47 g/mol
LogP5.56
Rot. Bonds7

About 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol

2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol (PubChem CID 101211105) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol.

Molecular Properties

Compound Name2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
PubChem CID101211105
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
SMILESC=CC[C@@](N[C@H](C)c1ccccc1)(c1ccccc1)c1ccccc1O
InChIInChI=1S/C24H25NO/c1-3-18-24(21-14-8-5-9-15-21,22-16-10-11-17-23(22)26)25-19(2)20-12-6-4-7-13-20/h3-17,19,25-26H,1,18H2,2H3/t19-,24-/m1/s1
InChIKeyKFPMTCSBRZOUGT-NTKDMRAZSA-N
XLogP5.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R)-1-hydroxy-2-methyl-1-phenylbut-3-enyl]phenol
CID 11514371
2-[(3R)-3-[[(1R)-1-phenylethyl]amino]heptan-3-yl]phenol
CID 12034366
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
CID 71378994
N-[1-(2-methoxyphenyl)-1-phenylbut-3-enyl]benzamide
CID 171061426
2-[(1S)-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol
CID 101211094
1-phenyl-1-N'-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 134968939
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
(2R)-3,3-dimethyl-2-[[(1R)-1-phenylethyl]amino]hex-5-enenitrile
CID 21026564
2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
CID 14939211
2-[(2S)-2-(but-3-enylamino)pent-4-en-2-yl]phenol
CID 71421500
3-phenylhex-5-ene-2,3-diol;phosphorous acid
CID 67770210

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol?
The IUPAC name of 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol (CID 101211105) is 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol.
What is the SMILES notation for 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol?
The canonical SMILES for 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol is C=CC[C@@](N[C@H](C)c1ccccc1)(c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol?
The InChIKey is KFPMTCSBRZOUGT-NTKDMRAZSA-N. The full InChI is InChI=1S/C24H25NO/c1-3-18-24(21-14-8-5-9-15-21,22-16-10-11-17-23(22)26)25-19(2)20-12-6-4-7-13-20/h3-17,19,25-26H,1,18H2,2H3/t19-,24-/m1/s1.
What are the key properties of 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol?
2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol has a molecular weight of 343.47 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-phenyl-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]phenol is sourced from PubChem (CID 101211105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).