1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol

C14H21NO2 — CID 65042148

IUPAC1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
SMILESCCC(O)(COC)C1CCc2ccccc2N1
InChIInChI=1S/C14H21NO2/c1-3-14(16,10-17-2)13-9-8-11-6-4-5-7-12(11)15-13/h4-7,13,15-16H,3,8-10H2,1-2H3
InChIKeyFAMRSCWTJJQINS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.20
Rot. Bonds4

About 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol

1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol (PubChem CID 65042148) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
PubChem CID65042148
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
SMILESCCC(O)(COC)C1CCc2ccccc2N1
InChIInChI=1S/C14H21NO2/c1-3-14(16,10-17-2)13-9-8-11-6-4-5-7-12(11)15-13/h4-7,13,15-16H,3,8-10H2,1-2H3
InChIKeyFAMRSCWTJJQINS-UHFFFAOYSA-N
XLogP2.20
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The IUPAC name of 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol (CID 65042148) is 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol.
What is the SMILES notation for 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The canonical SMILES for 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol is CCC(O)(COC)C1CCc2ccccc2N1.
What is the InChIKey of 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
The InChIKey is FAMRSCWTJJQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-14(16,10-17-2)13-9-8-11-6-4-5-7-12(11)15-13/h4-7,13,15-16H,3,8-10H2,1-2H3.
What are the key properties of 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol?
1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol is sourced from PubChem (CID 65042148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).