2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol

C15H24N2O2 — CID 106606415

IUPAC2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
SMILESCC(c1ccccc1O)N(CCO)CC1CCCN1
InChIInChI=1S/C15H24N2O2/c1-12(14-6-2-3-7-15(14)19)17(9-10-18)11-13-5-4-8-16-13/h2-3,6-7,12-13,16,18-19H,4-5,8-11H2,1H3
InChIKeyLORJPXSPFFSUJJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds6

About 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol

2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol (PubChem CID 106606415) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
PubChem CID106606415
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
SMILESCC(c1ccccc1O)N(CCO)CC1CCCN1
InChIInChI=1S/C15H24N2O2/c1-12(14-6-2-3-7-15(14)19)17(9-10-18)11-13-5-4-8-16-13/h2-3,6-7,12-13,16,18-19H,4-5,8-11H2,1H3
InChIKeyLORJPXSPFFSUJJ-UHFFFAOYSA-N
XLogP1.50
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[1-(2,4-dimethylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606920
2-[1-(2-methoxy-5-methylphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606918
N-[1-(2-bromophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603813
2-[(3-methyl-1-phenylbutyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606795
1-(2-fluorophenyl)-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605738
2-[1-(3-methoxyphenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607019
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-(2-bromophenyl)-N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603332
2-[1-phenylbutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606385
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol (CID 106606415) is 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol is CC(c1ccccc1O)N(CCO)CC1CCCN1.
What is the InChIKey of 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol?
The InChIKey is LORJPXSPFFSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(14-6-2-3-7-15(14)19)17(9-10-18)11-13-5-4-8-16-13/h2-3,6-7,12-13,16,18-19H,4-5,8-11H2,1H3.
What are the key properties of 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol?
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol is sourced from PubChem (CID 106606415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).