N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride

C23H32ClNO2 — CID 173444405

IUPACN-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCN(CCOCCOc1ccccc1C)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-5-15-24(23(3,4)21-12-7-6-8-13-21)16-17-25-18-19-26-22-14-10-9-11-20(22)2;/h5-14H,1,15-19H2,2-4H3;1H
InChIKeyPAOCONFXIDWKFK-UHFFFAOYSA-N
MW389.97 g/mol
LogP5.24
Rot. Bonds11

About N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride

N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride (PubChem CID 173444405) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
PubChem CID173444405
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC NameN-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride
SMILESC=CCN(CCOCCOc1ccccc1C)C(C)(C)c1ccccc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-5-15-24(23(3,4)21-12-7-6-8-13-21)16-17-25-18-19-26-22-14-10-9-11-20(22)2;/h5-14H,1,15-19H2,2-4H3;1H
InChIKeyPAOCONFXIDWKFK-UHFFFAOYSA-N
XLogP5.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.97
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The IUPAC name of N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride (CID 173444405) is N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride is C=CCN(CCOCCOc1ccccc1C)C(C)(C)c1ccccc1.Cl.
What is the InChIKey of N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
The InChIKey is PAOCONFXIDWKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-5-15-24(23(3,4)21-12-7-6-8-13-21)16-17-25-18-19-26-22-14-10-9-11-20(22)2;/h5-14H,1,15-19H2,2-4H3;1H.
What are the key properties of N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride?
N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylphenoxy)ethoxy]ethyl]-2-phenyl-N-prop-2-enylpropan-2-amine;hydrochloride is sourced from PubChem (CID 173444405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).