N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine

C22H26N2O2 — CID 71734010

IUPACN,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
SMILESCCCOc1ccc(-c2cc(OCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C22H26N2O2/c1-4-14-25-18-11-9-17(10-12-18)21-16-22(26-15-13-24(2)3)19-7-5-6-8-20(19)23-21/h5-12,16H,4,13-15H2,1-3H3
InChIKeyRJCNEUGHMINGKU-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.63
Rot. Bonds8

About N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine

N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine (PubChem CID 71734010) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
PubChem CID71734010
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
SMILESCCCOc1ccc(-c2cc(OCCN(C)C)c3ccccc3n2)cc1
InChIInChI=1S/C22H26N2O2/c1-4-14-25-18-11-9-17(10-12-18)21-16-22(26-15-13-24(2)3)19-7-5-6-8-20(19)23-21/h5-12,16H,4,13-15H2,1-3H3
InChIKeyRJCNEUGHMINGKU-UHFFFAOYSA-N
XLogP4.63
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(4-propoxyphenyl)quinoline
CID 53466443
N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride
CID 71734398
2-(4-butoxyphenyl)quinolin-4-amine
CID 95493431
4-ethoxy-2-phenylquinoline
CID 14954061
2-[2-(chloromethyl)quinolin-4-yl]oxy-N,N-dimethylethanamine
CID 63375545
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
3-[2-(4-butoxyphenyl)quinolin-4-yl]-4-ethyl-1H-1,2,4-triazole-5-thione
CID 3347124
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
CID 118709521
6-methoxy-2-(4-propoxyphenyl)quinoline
CID 102441525
2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
CID 90459307
4-[2-(dimethylamino)ethoxy]-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]quinoline-2-carboxamide
CID 87641535

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine (CID 71734010) is N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine is CCCOc1ccc(-c2cc(OCCN(C)C)c3ccccc3n2)cc1.
What is the InChIKey of N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine?
The InChIKey is RJCNEUGHMINGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-4-14-25-18-11-9-17(10-12-18)21-16-22(26-15-13-24(2)3)19-7-5-6-8-20(19)23-21/h5-12,16H,4,13-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine?
N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine has a molecular weight of 350.46 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine is sourced from PubChem (CID 71734010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).