3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine

C16H22N2O2 — CID 103229133

IUPAC3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
SMILESCOCC(CNC(C)C)Oc1cccc2ncccc12
InChIInChI=1S/C16H22N2O2/c1-12(2)18-10-13(11-19-3)20-16-8-4-7-15-14(16)6-5-9-17-15/h4-9,12-13,18H,10-11H2,1-3H3
InChIKeyKRQRLNULGWYSEY-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.63
Rot. Bonds7

About 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine

3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine (PubChem CID 103229133) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
PubChem CID103229133
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine
SMILESCOCC(CNC(C)C)Oc1cccc2ncccc12
InChIInChI=1S/C16H22N2O2/c1-12(2)18-10-13(11-19-3)20-16-8-4-7-15-14(16)6-5-9-17-15/h4-9,12-13,18H,10-11H2,1-3H3
InChIKeyKRQRLNULGWYSEY-UHFFFAOYSA-N
XLogP2.63
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-quinolin-5-yloxypentan-1-amine
CID 103045732
N,2-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
N-propyl-3-quinolin-5-yloxybutan-2-amine
CID 103044558
N-(1-methoxypropan-2-yl)quinolin-5-amine
CID 62536398
N-(2-quinolin-5-yloxypentyl)cyclopropanamine
CID 103045789
3-methoxy-N-propan-2-yl-2-(2,4,5-trichlorophenoxy)propan-1-amine
CID 103228070
3-amino-2-quinolin-5-yloxybutan-1-ol
CID 103044560
3-methoxy-N-propan-2-yl-2-(2-prop-2-enylphenoxy)propan-1-amine
CID 103228640
N-ethyl-3-methyl-1-quinolin-5-yloxypentan-2-amine
CID 103044542
5-(3-bromo-2-methylpropoxy)quinoline
CID 103044584
N-(2-quinolin-5-yloxyethyl)pentan-3-amine
CID 103045833
3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
CID 103044506

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine?
The IUPAC name of 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine (CID 103229133) is 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine.
What is the SMILES notation for 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine?
The canonical SMILES for 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine is COCC(CNC(C)C)Oc1cccc2ncccc12.
What is the InChIKey of 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine?
The InChIKey is KRQRLNULGWYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)18-10-13(11-19-3)20-16-8-4-7-15-14(16)6-5-9-17-15/h4-9,12-13,18H,10-11H2,1-3H3.
What are the key properties of 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine?
3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine has a molecular weight of 274.36 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propan-2-yl-2-quinolin-5-yloxypropan-1-amine is sourced from PubChem (CID 103229133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).