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

C14H21ClN2O2 — CID 106607083

IUPAC3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESOCCN(Cc1c(O)cccc1Cl)CC1CCCN1
InChIInChI=1S/C14H21ClN2O2/c15-13-4-1-5-14(19)12(13)10-17(7-8-18)9-11-3-2-6-16-11/h1,4-5,11,16,18-19H,2-3,6-10H2
InChIKeyZIHNQBNYSUJBMP-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.59
Rot. Bonds6

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

3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (PubChem CID 106607083) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
PubChem CID106607083
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
SMILESOCCN(Cc1c(O)cccc1Cl)CC1CCCN1
InChIInChI=1S/C14H21ClN2O2/c15-13-4-1-5-14(19)12(13)10-17(7-8-18)9-11-3-2-6-16-11/h1,4-5,11,16,18-19H,2-3,6-10H2
InChIKeyZIHNQBNYSUJBMP-UHFFFAOYSA-N
XLogP1.59
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.59
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

3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
2-[(3-cyclopropylphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606862
3-chloro-4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzonitrile
CID 106617879
2-[(2-chloro-4-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618047
2-[(2-methyl-1-benzofuran-3-yl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606555
2-[(2,4-difluorophenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606887
2-[pyrrolidin-2-ylmethyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanol
CID 106606388
2-[2-phenylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606786
4-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzoic acid
CID 106617921
2-[1-(2-chlorophenyl)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606396
2-[(3-propoxyphenyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606438
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The IUPAC name of 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol (CID 106607083) is 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol.
What is the SMILES notation for 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The canonical SMILES for 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is OCCN(Cc1c(O)cccc1Cl)CC1CCCN1.
What is the InChIKey of 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
The InChIKey is ZIHNQBNYSUJBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-13-4-1-5-14(19)12(13)10-17(7-8-18)9-11-3-2-6-16-11/h1,4-5,11,16,18-19H,2-3,6-10H2.
What are the key properties of 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol?
3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol has a molecular weight of 284.79 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol is sourced from PubChem (CID 106607083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).