N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine

C17H22N2O — CID 104997415

IUPACN-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine
SMILESCNC(Cc1ccnc2ccccc12)C1CCCCO1
InChIInChI=1S/C17H22N2O/c1-18-16(17-8-4-5-11-20-17)12-13-9-10-19-15-7-3-2-6-14(13)15/h2-3,6-7,9-10,16-18H,4-5,8,11-12H2,1H3
InChIKeyXSQOZJFQEMYTEY-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.93
Rot. Bonds4

About N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine

N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine (PubChem CID 104997415) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine
PubChem CID104997415
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine
SMILESCNC(Cc1ccnc2ccccc12)C1CCCCO1
InChIInChI=1S/C17H22N2O/c1-18-16(17-8-4-5-11-20-17)12-13-9-10-19-15-7-3-2-6-14(13)15/h2-3,6-7,9-10,16-18H,4-5,8,11-12H2,1H3
InChIKeyXSQOZJFQEMYTEY-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-2-quinolin-4-ylethanamine
CID 107189504
4-[2-(methylamino)-2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 65328852
2-(3,4-dichlorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115843395
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
CID 115812509
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
2-(5-chloro-2-fluorophenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 103053273
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol
CID 115812514
(3-cyclopropyl-1-quinolin-4-ylbutan-2-yl)hydrazine
CID 105316345
2-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 105035624
[2-(2-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105285184
N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
CID 80622972

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine?
The IUPAC name of N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine (CID 104997415) is N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine is CNC(Cc1ccnc2ccccc12)C1CCCCO1.
What is the InChIKey of N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine?
The InChIKey is XSQOZJFQEMYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-16(17-8-4-5-11-20-17)12-13-9-10-19-15-7-3-2-6-14(13)15/h2-3,6-7,9-10,16-18H,4-5,8,11-12H2,1H3.
What are the key properties of N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine?
N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine is sourced from PubChem (CID 104997415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).