4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol

C14H22N2O — CID 80650133

IUPAC4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
SMILESCC(O)CCNCc1cccc2c1NCCC2
InChIInChI=1S/C14H22N2O/c1-11(17)7-9-15-10-13-5-2-4-12-6-3-8-16-14(12)13/h2,4-5,11,15-17H,3,6-10H2,1H3
InChIKeyQOBGLRGSWRGUIK-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.91
Rot. Bonds5

About 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol

4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol (PubChem CID 80650133) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
PubChem CID80650133
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
SMILESCC(O)CCNCc1cccc2c1NCCC2
InChIInChI=1S/C14H22N2O/c1-11(17)7-9-15-10-13-5-2-4-12-6-3-8-16-14(12)13/h2,4-5,11,15-17H,3,6-10H2,1H3
InChIKeyQOBGLRGSWRGUIK-UHFFFAOYSA-N
XLogP1.91
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-1-amine
CID 80649952
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
(2S)-3-methyl-2-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-1-ol
CID 80649071
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butan-2-amine
CID 80648821
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol?
The IUPAC name of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol (CID 80650133) is 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol.
What is the SMILES notation for 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol?
The canonical SMILES for 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol is CC(O)CCNCc1cccc2c1NCCC2.
What is the InChIKey of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol?
The InChIKey is QOBGLRGSWRGUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(17)7-9-15-10-13-5-2-4-12-6-3-8-16-14(12)13/h2,4-5,11,15-17H,3,6-10H2,1H3.
What are the key properties of 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol?
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol is sourced from PubChem (CID 80650133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).