3-(2-methylquinolin-4-yl)oxypropan-1-amine

C13H16N2O — CID 62349241

IUPAC3-(2-methylquinolin-4-yl)oxypropan-1-amine
SMILESCc1cc(OCCCN)c2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-10-9-13(16-8-4-7-14)11-5-2-3-6-12(11)15-10/h2-3,5-6,9H,4,7-8,14H2,1H3
InChIKeyIRCQDICUPVPBAV-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.27
Rot. Bonds4

About 3-(2-methylquinolin-4-yl)oxypropan-1-amine

3-(2-methylquinolin-4-yl)oxypropan-1-amine (PubChem CID 62349241) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(2-methylquinolin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(2-methylquinolin-4-yl)oxypropan-1-amine
PubChem CID62349241
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(2-methylquinolin-4-yl)oxypropan-1-amine
SMILESCc1cc(OCCCN)c2ccccc2n1
InChIInChI=1S/C13H16N2O/c1-10-9-13(16-8-4-7-14)11-5-2-3-6-12(11)15-10/h2-3,5-6,9H,4,7-8,14H2,1H3
InChIKeyIRCQDICUPVPBAV-UHFFFAOYSA-N
XLogP2.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
4-methyl-2-[7-(2-methylquinolin-4-yl)oxyheptyl]-1,3-thiazole
CID 5272770
4-(3-chloroprop-2-enoxy)-2-methylquinoline
CID 165347693
4-pentoxyquinolin-2-amine
CID 118174578
(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
1-[(2-methylquinolin-4-yl)oxymethyl]cycloheptan-1-amine
CID 64549371
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
[2-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 79234339
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
2-methylquinolin-4-amine
CID 162035180
ethyl 1-(2-methylquinolin-4-yl)oxycyclobutane-1-carboxylate
CID 142191912
ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
CID 142191892

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylquinolin-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(2-methylquinolin-4-yl)oxypropan-1-amine (CID 62349241) is 3-(2-methylquinolin-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(2-methylquinolin-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(2-methylquinolin-4-yl)oxypropan-1-amine is Cc1cc(OCCCN)c2ccccc2n1.
What is the InChIKey of 3-(2-methylquinolin-4-yl)oxypropan-1-amine?
The InChIKey is IRCQDICUPVPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-9-13(16-8-4-7-14)11-5-2-3-6-12(11)15-10/h2-3,5-6,9H,4,7-8,14H2,1H3.
What are the key properties of 3-(2-methylquinolin-4-yl)oxypropan-1-amine?
3-(2-methylquinolin-4-yl)oxypropan-1-amine has a molecular weight of 216.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylquinolin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 62349241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).