N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride

C20H25ClN2O2 — CID 3024969

IUPACN,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride
SMILESCN(C)CCCOc1cc(-c2ccccc2)c2ccccc2n1.Cl.O
InChIInChI=1S/C20H22N2O.ClH.H2O/c1-22(2)13-8-14-23-20-15-18(16-9-4-3-5-10-16)17-11-6-7-12-19(17)21-20;;/h3-7,9-12,15H,8,13-14H2,1-2H3;1H;1H2
InChIKeyXNACDEYRMQAQNI-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.83
Rot. Bonds6

About N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride

N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride (PubChem CID 3024969) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride
PubChem CID3024969
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride
SMILESCN(C)CCCOc1cc(-c2ccccc2)c2ccccc2n1.Cl.O
InChIInChI=1S/C20H22N2O.ClH.H2O/c1-22(2)13-8-14-23-20-15-18(16-9-4-3-5-10-16)17-11-6-7-12-19(17)21-20;;/h3-7,9-12,15H,8,13-14H2,1-2H3;1H;1H2
InChIKeyXNACDEYRMQAQNI-UHFFFAOYSA-N
XLogP3.83
TPSA56.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride?
The IUPAC name of N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride (CID 3024969) is N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride.
What is the SMILES notation for N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride?
The canonical SMILES for N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride is CN(C)CCCOc1cc(-c2ccccc2)c2ccccc2n1.Cl.O.
What is the InChIKey of N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride?
The InChIKey is XNACDEYRMQAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O.ClH.H2O/c1-22(2)13-8-14-23-20-15-18(16-9-4-3-5-10-16)17-11-6-7-12-19(17)21-20;;/h3-7,9-12,15H,8,13-14H2,1-2H3;1H;1H2.
What are the key properties of N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride?
N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride has a molecular weight of 360.89 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine;hydrate;hydrochloride is sourced from PubChem (CID 3024969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).