2-(tert-butylamino)-1-quinolin-6-ylethanol

C15H20N2O — CID 81221991

IUPAC2-(tert-butylamino)-1-quinolin-6-ylethanol
SMILESCC(C)(C)NCC(O)c1ccc2ncccc2c1
InChIInChI=1S/C15H20N2O/c1-15(2,3)17-10-14(18)12-6-7-13-11(9-12)5-4-8-16-13/h4-9,14,17-18H,10H2,1-3H3
InChIKeyKWPIPSSDAOJNPK-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.66
Rot. Bonds3

About 2-(tert-butylamino)-1-quinolin-6-ylethanol

2-(tert-butylamino)-1-quinolin-6-ylethanol (PubChem CID 81221991) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-quinolin-6-ylethanol
PubChem CID81221991
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(tert-butylamino)-1-quinolin-6-ylethanol
SMILESCC(C)(C)NCC(O)c1ccc2ncccc2c1
InChIInChI=1S/C15H20N2O/c1-15(2,3)17-10-14(18)12-6-7-13-11(9-12)5-4-8-16-13/h4-9,14,17-18H,10H2,1-3H3
InChIKeyKWPIPSSDAOJNPK-UHFFFAOYSA-N
XLogP2.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-1-quinolin-6-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-methyl-3-quinolin-6-ylbutan-1-amine
CID 81223538
3-amino-3-methyl-1-quinolin-6-ylbutan-1-ol
CID 112753988
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
2-amino-2-methyl-1-quinolin-6-ylpropan-1-ol
CID 66038103
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
CID 86586613
N-tert-butyl-2-methyl-3-quinolin-7-ylbutan-1-amine
CID 81223626
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-quinolin-6-ylethanol?
The IUPAC name of 2-(tert-butylamino)-1-quinolin-6-ylethanol (CID 81221991) is 2-(tert-butylamino)-1-quinolin-6-ylethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-quinolin-6-ylethanol?
The canonical SMILES for 2-(tert-butylamino)-1-quinolin-6-ylethanol is CC(C)(C)NCC(O)c1ccc2ncccc2c1.
What is the InChIKey of 2-(tert-butylamino)-1-quinolin-6-ylethanol?
The InChIKey is KWPIPSSDAOJNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(2,3)17-10-14(18)12-6-7-13-11(9-12)5-4-8-16-13/h4-9,14,17-18H,10H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-quinolin-6-ylethanol?
2-(tert-butylamino)-1-quinolin-6-ylethanol has a molecular weight of 244.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-quinolin-6-ylethanol is sourced from PubChem (CID 81221991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).