2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol

C15H19NO2 — CID 18008046

IUPAC2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol
SMILESCC(C)(CO)COCc1ccc2ccccc2n1
InChIInChI=1S/C15H19NO2/c1-15(2,10-17)11-18-9-13-8-7-12-5-3-4-6-14(12)16-13/h3-8,17H,9-11H2,1-2H3
InChIKeyUWPKVVOMIIZSIJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.77
Rot. Bonds5

About 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol

2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol (PubChem CID 18008046) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol
PubChem CID18008046
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol
SMILESCC(C)(CO)COCc1ccc2ccccc2n1
InChIInChI=1S/C15H19NO2/c1-15(2,10-17)11-18-9-13-8-7-12-5-3-4-6-14(12)16-13/h3-8,17H,9-11H2,1-2H3
InChIKeyUWPKVVOMIIZSIJ-UHFFFAOYSA-N
XLogP2.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
2-(prop-2-enoxymethyl)quinoline
CID 10821856
2-(dodecoxymethyl)quinoline
CID 14754989
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol
CID 10769106
3-methyl-3-(quinolin-2-ylmethylamino)pentan-1-ol
CID 103768861
1-quinolin-2-yl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215601
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
2-methyl-1-[methyl(quinolin-2-ylmethyl)amino]propan-2-ol
CID 78995605
CID 89210421
CID 89210421
3-methoxy-4,4-dimethyl-1-quinolin-2-ylpentan-2-amine
CID 116724332
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pentan-2-one
CID 20597909
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol (CID 18008046) is 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol is CC(C)(CO)COCc1ccc2ccccc2n1.
What is the InChIKey of 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol?
The InChIKey is UWPKVVOMIIZSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,10-17)11-18-9-13-8-7-12-5-3-4-6-14(12)16-13/h3-8,17H,9-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol?
2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol is sourced from PubChem (CID 18008046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).