N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride

C19H21ClN2O — CID 3024965

IUPACN,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride
SMILESCC(Oc1cc(-c2ccccc2)c2ccccc2n1)N(C)C.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-14(21(2)3)22-19-13-17(15-9-5-4-6-10-15)16-11-7-8-12-18(16)20-19;/h4-14H,1-3H3;1H
InChIKeyRUBALOZCFGDZOK-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.61
Rot. Bonds4

About N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride

N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride (PubChem CID 3024965) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride
PubChem CID3024965
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride
SMILESCC(Oc1cc(-c2ccccc2)c2ccccc2n1)N(C)C.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-14(21(2)3)22-19-13-17(15-9-5-4-6-10-15)16-11-7-8-12-18(16)20-19;/h4-14H,1-3H3;1H
InChIKeyRUBALOZCFGDZOK-UHFFFAOYSA-N
XLogP4.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride (CID 3024965) is N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride is CC(Oc1cc(-c2ccccc2)c2ccccc2n1)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride?
The InChIKey is RUBALOZCFGDZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.ClH/c1-14(21(2)3)22-19-13-17(15-9-5-4-6-10-15)16-11-7-8-12-18(16)20-19;/h4-14H,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride?
N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenylquinolin-2-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 3024965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).