3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

C14H22N2O2 — CID 106607121

IUPAC3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESOCCN(Cc1cccc(O)c1)CC1CCCN1
InChIInChI=1S/C14H22N2O2/c17-8-7-16(11-13-4-2-6-15-13)10-12-3-1-5-14(18)9-12/h1,3,5,9,13,15,17-18H,2,4,6-8,10-11H2
InChIKeyYWIPMOZVRXLSMI-UHFFFAOYSA-N
MW250.34 g/mol
LogP0.94
Rot. Bonds6

About 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol

3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (PubChem CID 106607121) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
PubChem CID106607121
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESOCCN(Cc1cccc(O)c1)CC1CCCN1
InChIInChI=1S/C14H22N2O2/c17-8-7-16(11-13-4-2-6-15-13)10-12-3-1-5-14(18)9-12/h1,3,5,9,13,15,17-18H,2,4,6-8,10-11H2
InChIKeyYWIPMOZVRXLSMI-UHFFFAOYSA-N
XLogP0.94
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 106606388
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607083
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
N-[[3-(difluoromethyl)phenyl]methyl]-2-methoxy-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106605874
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
N-[[3-(methoxymethyl)phenyl]methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623591

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (CID 106607121) is 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is OCCN(Cc1cccc(O)c1)CC1CCCN1.
What is the InChIKey of 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is YWIPMOZVRXLSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-8-7-16(11-13-4-2-6-15-13)10-12-3-1-5-14(18)9-12/h1,3,5,9,13,15,17-18H,2,4,6-8,10-11H2.
What are the key properties of 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 250.34 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 106607121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).