1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol

C20H33NO2 — CID 143232672

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CN1CCCc2ccccc21
InChIInChI=1S/C20H33NO2/c1-3-5-9-17(4-2)15-23-16-19(22)14-21-13-8-11-18-10-6-7-12-20(18)21/h6-7,10,12,17,19,22H,3-5,8-9,11,13-16H2,1-2H3
InChIKeyFEJUYVLTONUTPO-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.03
Rot. Bonds10

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol (PubChem CID 143232672) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
PubChem CID143232672
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol
SMILESCCCCC(CC)COCC(O)CN1CCCc2ccccc21
InChIInChI=1S/C20H33NO2/c1-3-5-9-17(4-2)15-23-16-19(22)14-21-13-8-11-18-10-6-7-12-20(18)21/h6-7,10,12,17,19,22H,3-5,8-9,11,13-16H2,1-2H3
InChIKeyFEJUYVLTONUTPO-UHFFFAOYSA-N
XLogP4.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-3-phenylmethoxypropan-2-ol
CID 3804893
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86912362
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
CID 107264180
1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline
CID 65000659
2-ethylhexyl 2,3-dihydroindole-1-carboxylate
CID 54416259
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethylhexyl)benzamide
CID 133229571
1-heptyl-3,4-dihydro-2H-quinoline
CID 154324891
N-[2-[3-(3,4-dihydro-2H-quinolin-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 3558526
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
CID 107264145
(2R)-1-(1,3-benzodioxol-5-ylmethoxy)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 95576385

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol (CID 143232672) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol is CCCCC(CC)COCC(O)CN1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol?
The InChIKey is FEJUYVLTONUTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-5-9-17(4-2)15-23-16-19(22)14-21-13-8-11-18-10-6-7-12-20(18)21/h6-7,10,12,17,19,22H,3-5,8-9,11,13-16H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol has a molecular weight of 319.49 g/mol, XLogP of 4.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-ethylhexoxy)propan-2-ol is sourced from PubChem (CID 143232672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).