3-[(3-aminopyrrolidin-1-yl)methyl]phenol

C11H16N2O — CID 22966382

IUPAC3-[(3-aminopyrrolidin-1-yl)methyl]phenol
SMILESNC1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C11H16N2O/c12-10-4-5-13(8-10)7-9-2-1-3-11(14)6-9/h1-3,6,10,14H,4-5,7-8,12H2
InChIKeyGGYRXRNODPJXQF-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.93
Rot. Bonds2

About 3-[(3-aminopyrrolidin-1-yl)methyl]phenol

3-[(3-aminopyrrolidin-1-yl)methyl]phenol (PubChem CID 22966382) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-[(3-aminopyrrolidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-aminopyrrolidin-1-yl)methyl]phenol
PubChem CID22966382
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-[(3-aminopyrrolidin-1-yl)methyl]phenol
SMILESNC1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C11H16N2O/c12-10-4-5-13(8-10)7-9-2-1-3-11(14)6-9/h1-3,6,10,14H,4-5,7-8,12H2
InChIKeyGGYRXRNODPJXQF-UHFFFAOYSA-N
XLogP0.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]phenol
CID 114800587
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[(3-chloro-4-methylpiperidin-1-yl)methyl]phenol
CID 102960125
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyrrolidin-1-yl)methyl]phenol?
The IUPAC name of 3-[(3-aminopyrrolidin-1-yl)methyl]phenol (CID 22966382) is 3-[(3-aminopyrrolidin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-aminopyrrolidin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(3-aminopyrrolidin-1-yl)methyl]phenol is NC1CCN(Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[(3-aminopyrrolidin-1-yl)methyl]phenol?
The InChIKey is GGYRXRNODPJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c12-10-4-5-13(8-10)7-9-2-1-3-11(14)6-9/h1-3,6,10,14H,4-5,7-8,12H2.
What are the key properties of 3-[(3-aminopyrrolidin-1-yl)methyl]phenol?
3-[(3-aminopyrrolidin-1-yl)methyl]phenol has a molecular weight of 192.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyrrolidin-1-yl)methyl]phenol is sourced from PubChem (CID 22966382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).