2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine

C17H23N3O — CID 64568893

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine
SMILESCOCC1CCN(C(CN)c2cccc3cccnc23)C1
InChIInChI=1S/C17H23N3O/c1-21-12-13-7-9-20(11-13)16(10-18)15-6-2-4-14-5-3-8-19-17(14)15/h2-6,8,13,16H,7,9-12,18H2,1H3
InChIKeyCJMBPECCVGYWIG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.20
Rot. Bonds5

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine

2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine (PubChem CID 64568893) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine
PubChem CID64568893
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine
SMILESCOCC1CCN(C(CN)c2cccc3cccnc23)C1
InChIInChI=1S/C17H23N3O/c1-21-12-13-7-9-20(11-13)16(10-18)15-6-2-4-14-5-3-8-19-17(14)15/h2-6,8,13,16H,7,9-12,18H2,1H3
InChIKeyCJMBPECCVGYWIG-UHFFFAOYSA-N
XLogP2.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine with MolForge

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-quinolin-8-ylethanamine
CID 115559387
2-(2,3-dichlorophenyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971708
2-(2,5-dimethylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 64568698
2-(3-ethyl-1-methylpyrazol-4-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 112669485
2-(2-chloro-6-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 104816358
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382
N-(4-methylpiperazin-1-yl)-1-quinolin-8-ylethane-1,2-diamine
CID 83010794
2-[4-(methoxymethyl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822316
2-(3-methoxypiperidin-1-yl)-2-naphthalen-1-ylethanamine
CID 102965278
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(4-propan-2-yloxyphenyl)ethanamine
CID 64570685
N-cyclopropyl-N-(2-methoxyethyl)-1-quinolin-8-ylethane-1,2-diamine
CID 63968305
2-(4-bromo-3-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 66479758

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine (CID 64568893) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine is COCC1CCN(C(CN)c2cccc3cccnc23)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine?
The InChIKey is CJMBPECCVGYWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-12-13-7-9-20(11-13)16(10-18)15-6-2-4-14-5-3-8-19-17(14)15/h2-6,8,13,16H,7,9-12,18H2,1H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-2-quinolin-8-ylethanamine is sourced from PubChem (CID 64568893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).