2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol

C11H16N2O2 — CID 115025843

IUPAC2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
SMILESNC1(CO)CCN(c2ccccc2O)C1
InChIInChI=1S/C11H16N2O2/c12-11(8-14)5-6-13(7-11)9-3-1-2-4-10(9)15/h1-4,14-15H,5-8,12H2
InChIKeyDONYGAKLGGLHHI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.29
Rot. Bonds2

About 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol

2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol (PubChem CID 115025843) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol.

Molecular Properties

Compound Name2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
PubChem CID115025843
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
SMILESNC1(CO)CCN(c2ccccc2O)C1
InChIInChI=1S/C11H16N2O2/c12-11(8-14)5-6-13(7-11)9-3-1-2-4-10(9)15/h1-4,14-15H,5-8,12H2
InChIKeyDONYGAKLGGLHHI-UHFFFAOYSA-N
XLogP0.29
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol
CID 117012233
[3-amino-1-(2-propan-2-yloxyphenyl)piperidin-3-yl]methanol
CID 117012551
[3-amino-1-(2,5-dichlorophenyl)pyrrolidin-3-yl]methanol
CID 117012267
[3-amino-1-(4-chlorophenyl)pyrrolidin-3-yl]methanol
CID 115035883
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
CID 117012261
4-(aminomethyl)-1-(2-hydroxyphenyl)piperidin-4-ol
CID 115033365
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107
4-(fluoromethyl)-1-(2-hydroxyphenyl)piperidine-4-carboxylic acid
CID 115055612
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
2-(1-aminocyclobutyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 79843787
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol?
The IUPAC name of 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol (CID 115025843) is 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol.
What is the SMILES notation for 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol?
The canonical SMILES for 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol is NC1(CO)CCN(c2ccccc2O)C1.
What is the InChIKey of 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol?
The InChIKey is DONYGAKLGGLHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-11(8-14)5-6-13(7-11)9-3-1-2-4-10(9)15/h1-4,14-15H,5-8,12H2.
What are the key properties of 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol?
2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol has a molecular weight of 208.26 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol is sourced from PubChem (CID 115025843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).