2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol

C16H21N3O — CID 106621399

IUPAC2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1ccnc2ccccc12
InChIInChI=1S/C16H21N3O/c20-11-10-19(12-13-4-3-8-17-13)16-7-9-18-15-6-2-1-5-14(15)16/h1-2,5-7,9,13,17,20H,3-4,8,10-12H2
InChIKeyNJAUMOPHABEUMG-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.79
Rot. Bonds5

About 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol

2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol (PubChem CID 106621399) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
PubChem CID106621399
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
SMILESOCCN(CC1CCCN1)c1ccnc2ccccc12
InChIInChI=1S/C16H21N3O/c20-11-10-19(12-13-4-3-8-17-13)16-7-9-18-15-6-2-1-5-14(15)16/h1-2,5-7,9,13,17,20H,3-4,8,10-12H2
InChIKeyNJAUMOPHABEUMG-UHFFFAOYSA-N
XLogP1.79
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
CID 106621340
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N'-pyridin-2-ylacetohydrazide
CID 106618022
N-ethyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106621257

Frequently Asked Questions

What is the IUPAC name of 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol?
The IUPAC name of 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol (CID 106621399) is 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol is OCCN(CC1CCCN1)c1ccnc2ccccc12.
What is the InChIKey of 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol?
The InChIKey is NJAUMOPHABEUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-11-10-19(12-13-4-3-8-17-13)16-7-9-18-15-6-2-1-5-14(15)16/h1-2,5-7,9,13,17,20H,3-4,8,10-12H2.
What are the key properties of 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol?
2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol has a molecular weight of 271.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol is sourced from PubChem (CID 106621399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).