3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol

C16H22N2O — CID 105378717

IUPAC3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol
SMILESCc1ccc2cc(CNC(C)(C)CCO)ccc2n1
InChIInChI=1S/C16H22N2O/c1-12-4-6-14-10-13(5-7-15(14)18-12)11-17-16(2,3)8-9-19/h4-7,10,17,19H,8-9,11H2,1-3H3
InChIKeyQNMLKOIXVADXST-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.79
Rot. Bonds5

About 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol

3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol (PubChem CID 105378717) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol
PubChem CID105378717
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol
SMILESCc1ccc2cc(CNC(C)(C)CCO)ccc2n1
InChIInChI=1S/C16H22N2O/c1-12-4-6-14-10-13(5-7-15(14)18-12)11-17-16(2,3)8-9-19/h4-7,10,17,19H,8-9,11H2,1-3H3
InChIKeyQNMLKOIXVADXST-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-2-amine
CID 105378674
3-methyl-3-(naphthalen-2-ylmethylamino)butan-1-ol
CID 111469119
3-ethyl-N-[(2-methylquinolin-6-yl)methyl]pentan-3-amine
CID 105378521
N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 81231391
2-methyl-N-[2-(2-methylquinolin-6-yl)ethyl]propan-2-amine
CID 81224077
3,3,3-trifluoro-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 105378460
2-methyl-N-[(2-methylquinolin-6-yl)methyl]propan-1-amine
CID 81231609
1-(4-bromophenyl)-N-[(2-methylquinolin-6-yl)methyl]methanamine
CID 105378223
N',N'-dimethyl-N-[(2-methylquinolin-6-yl)methyl]propane-1,3-diamine
CID 105378209
(2-methylquinolin-6-yl)methanethiol
CID 105379811
3-[(4-bromo-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 115702691
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol (CID 105378717) is 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol is Cc1ccc2cc(CNC(C)(C)CCO)ccc2n1.
What is the InChIKey of 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol?
The InChIKey is QNMLKOIXVADXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-4-6-14-10-13(5-7-15(14)18-12)11-17-16(2,3)8-9-19/h4-7,10,17,19H,8-9,11H2,1-3H3.
What are the key properties of 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol?
3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol has a molecular weight of 258.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(2-methylquinolin-6-yl)methylamino]butan-1-ol is sourced from PubChem (CID 105378717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).