2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol

C16H22N2O — CID 105379246

IUPAC2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(CO)NCC(C)C)ccc2n1
InChIInChI=1S/C16H22N2O/c1-11(2)9-17-16(10-19)14-6-7-15-13(8-14)5-4-12(3)18-15/h4-8,11,16-17,19H,9-10H2,1-3H3
InChIKeyUKLJUBGJTHSCIO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.82
Rot. Bonds5

About 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol

2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol (PubChem CID 105379246) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
PubChem CID105379246
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol
SMILESCc1ccc2cc(C(CO)NCC(C)C)ccc2n1
InChIInChI=1S/C16H22N2O/c1-11(2)9-17-16(10-19)14-6-7-15-13(8-14)5-4-12(3)18-15/h4-8,11,16-17,19H,9-10H2,1-3H3
InChIKeyUKLJUBGJTHSCIO-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylquinolin-6-yl)-2-(propylamino)ethanol
CID 105379248
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)acetamide
CID 105378874
2-(2-methylquinolin-6-yl)-2-(thiophen-2-ylmethylamino)ethanol
CID 105379249
N,4-dimethyl-1-(2-methylquinolin-6-yl)pentan-1-amine
CID 81231235
3-methyl-1-(2-methylquinolin-6-yl)-N-propylbutan-1-amine
CID 81220093
3-(2-methylquinolin-6-yl)-3-(propylamino)propan-1-ol
CID 105379697
1-(2-methylquinolin-6-yl)-N-propylpropan-1-amine
CID 81220852
2-[(2-methylquinolin-6-yl)methylamino]-2-thiophen-3-ylethanol
CID 119039458
2-(4-fluoro-3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 62120119
2-(3-methylphenyl)-2-(2-methylpropylamino)ethanol
CID 61055543
2-(3,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61055745

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol?
The IUPAC name of 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol (CID 105379246) is 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol.
What is the SMILES notation for 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol?
The canonical SMILES for 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol is Cc1ccc2cc(C(CO)NCC(C)C)ccc2n1.
What is the InChIKey of 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol?
The InChIKey is UKLJUBGJTHSCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)9-17-16(10-19)14-6-7-15-13(8-14)5-4-12(3)18-15/h4-8,11,16-17,19H,9-10H2,1-3H3.
What are the key properties of 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol?
2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol has a molecular weight of 258.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylamino)-2-(2-methylquinolin-6-yl)ethanol is sourced from PubChem (CID 105379246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).