1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride

C17H20ClNO — CID 78411509

IUPAC1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
SMILESCl.OC(CNCC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO.ClH/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15;/h1-12,17-19H,13-14H2;1H
InChIKeyLJVNDSCLMRRTMS-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.44
Rot. Bonds6

About 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride

1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride (PubChem CID 78411509) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
PubChem CID78411509
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride
SMILESCl.OC(CNCC=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO.ClH/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15;/h1-12,17-19H,13-14H2;1H
InChIKeyLJVNDSCLMRRTMS-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pseudoephedrine
CID 7028
Ephedrine
CID 9294
Ephedrine Hydrochloride
CID 65326
Phenylethanolamine
CID 1000
Ritodrine Hydrochloride
CID 3040551
Pipradrol
CID 10083
Pseudoephedrine Hydrochloride
CID 9581
Ractopamine Hydrochloride
CID 14010333
Ephedrine Sulfate
CID 5359318
Phenylpropanolamine Hydrochloride
CID 62943
DL-Ephedrine
CID 5032
Benzenemethanol, 4-hydroxy-alpha-(1-((1-methyl-3-phenylpropyl)amino)ethyl)-, hydrochloride (1:1)
CID 5702098

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride (CID 78411509) is 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride is Cl.OC(CNCC=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride?
The InChIKey is LJVNDSCLMRRTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO.ClH/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15;/h1-12,17-19H,13-14H2;1H.
What are the key properties of 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride?
1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride has a molecular weight of 289.81 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenylprop-2-enylamino)ethanol;hydrochloride is sourced from PubChem (CID 78411509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).