3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol

C16H25N3O — CID 70719541

IUPAC3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCCN2CCCc3ccccc32)CCNC1
InChIInChI=1S/C16H25N3O/c20-16(7-8-17-12-16)13-18-9-11-19-10-3-5-14-4-1-2-6-15(14)19/h1-2,4,6,17-18,20H,3,5,7-13H2
InChIKeyRYYZQEQDQMRQDJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.75
Rot. Bonds5

About 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol

3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol (PubChem CID 70719541) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol
PubChem CID70719541
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESOC1(CNCCN2CCCc3ccccc32)CCNC1
InChIInChI=1S/C16H25N3O/c20-16(7-8-17-12-16)13-18-9-11-19-10-3-5-14-4-1-2-6-15(14)19/h1-2,4,6,17-18,20H,3,5,7-13H2
InChIKeyRYYZQEQDQMRQDJ-UHFFFAOYSA-N
XLogP0.75
TPSA47.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,3,4-Tetrahydroquinolin-1-yl)ethan-1-amine
CID 16783412
3-[[4-(2-Methylphenyl)-1,4-diazepan-1-yl]methyl]piperidin-3-ol
CID 70773726
1H-Pyrazino(1,2-a)quinoline, 2,3,4,4a,5,6-hexahydro-3-(3-hydroxy-3-methylbutyl)-
CID 89526
Quinoline, 1,2,3,4-tetrahydro-2-((N-(2-hydroxyethyl)-N-phenethylamino)methyl)-
CID 90975
1-Piperazineethanol, alpha-anilinomethyl-4-tolyl-
CID 3056406
1-[2-(Aminomethyl)phenyl]pyrrolidin-3-ol
CID 53408245
1-(Pyrrolidin-3-yl)-1,2,3,4-tetrahydroquinoline
CID 56831623
3-{[4-(2,5-Dimethylphenyl)piperazin-1-YL]methyl}pyrrolidin-3-OL
CID 70711954
6-({[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]amino}methyl)-1,4-oxazepan-6-ol
CID 70722089
3-({[3-(2,3-dihydro-1H-indol-1-yl)propyl]amino}methyl)pyrrolidin-3-ol
CID 70775651
(3R,4R)-1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3,4-dimethylpyrrolidin-3-ol
CID 72923648
(3R)-1-[2-methyl-4-[(2S)-2-methylpiperazin-1-yl]phenyl]pyrrolidin-3-ol;hydrochloride
CID 56588434

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol (CID 70719541) is 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol is OC1(CNCCN2CCCc3ccccc32)CCNC1.
What is the InChIKey of 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol?
The InChIKey is RYYZQEQDQMRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(7-8-17-12-16)13-18-9-11-19-10-3-5-14-4-1-2-6-15(14)19/h1-2,4,6,17-18,20H,3,5,7-13H2.
What are the key properties of 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol?
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol has a molecular weight of 275.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dihydro-2H-quinolin-1-yl)ethylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70719541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).