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

C17H18ClNO — CID 2980329

IUPAC1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride
SMILESCl.OC(CNCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO.ClH/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15;/h1-6,8-9,11-12,17-19H,13-14H2;1H
InChIKeyYQQBBHWOPNAKLU-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.78
Rot. Bonds4

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

1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride (PubChem CID 2980329) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride
PubChem CID2980329
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride
SMILESCl.OC(CNCC#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO.ClH/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15;/h1-6,8-9,11-12,17-19H,13-14H2;1H
InChIKeyYQQBBHWOPNAKLU-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride?
The IUPAC name of 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride (CID 2980329) is 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride.
What is the SMILES notation for 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride?
The canonical SMILES for 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride is Cl.OC(CNCC#Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride?
The InChIKey is YQQBBHWOPNAKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO.ClH/c19-17(16-11-5-2-6-12-16)14-18-13-7-10-15-8-3-1-4-9-15;/h1-6,8-9,11-12,17-19H,13-14H2;1H.
What are the key properties of 1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride?
1-phenyl-2-(3-phenylprop-2-ynylamino)ethanol;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.78, 4 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-ynylamino)ethanol;hydrochloride is sourced from PubChem (CID 2980329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).