N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine

C18H24N2O — CID 114755171

IUPACN-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-13-12-18(20-16-8-4-3-7-15(13)16)17(19-2)10-9-14-6-5-11-21-14/h3-4,7-8,12,14,17,19H,5-6,9-11H2,1-2H3
InChIKeyBVYSJZJJEDRNBR-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.76
Rot. Bonds5

About N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine

N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 114755171) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID114755171
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCNC(CCC1CCCO1)c1cc(C)c2ccccc2n1
InChIInChI=1S/C18H24N2O/c1-13-12-18(20-16-8-4-3-7-15(13)16)17(19-2)10-9-14-6-5-11-21-14/h3-4,7-8,12,14,17,19H,5-6,9-11H2,1-2H3
InChIKeyBVYSJZJJEDRNBR-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylquinolin-2-yl)-4-(oxolan-2-yl)butan-1-ol
CID 114754924
2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755199
N-methyl-3-(oxolan-2-yl)-1-quinolin-3-ylpropan-1-amine
CID 115797860
1-isoquinolin-4-yl-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115856332
N-ethyl-3-(oxolan-2-yl)-1-quinolin-2-ylpropan-1-amine
CID 65164311
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
CID 114857319
N-methyl-1-(1-methylindazol-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 103127434
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(2-fluorophenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 115828162
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
1-(2-bromo-3-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 114024223
1-isoquinolin-5-yl-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 115853007

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine (CID 114755171) is N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine is CNC(CCC1CCCO1)c1cc(C)c2ccccc2n1.
What is the InChIKey of N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is BVYSJZJJEDRNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-12-18(20-16-8-4-3-7-15(13)16)17(19-2)10-9-14-6-5-11-21-14/h3-4,7-8,12,14,17,19H,5-6,9-11H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine?
N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 114755171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).