2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol

C12H18N2O2 — CID 62067190

IUPAC2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCC(N)C2)c(O)c1
InChIInChI=1S/C12H18N2O2/c1-16-11-3-2-9(12(15)6-11)7-14-5-4-10(13)8-14/h2-3,6,10,15H,4-5,7-8,13H2,1H3
InChIKeyIGHXJBHWBMHKAZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.93
Rot. Bonds3

About 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol

2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol (PubChem CID 62067190) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
PubChem CID62067190
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol
SMILESCOc1ccc(CN2CCC(N)C2)c(O)c1
InChIInChI=1S/C12H18N2O2/c1-16-11-3-2-9(12(15)6-11)7-14-5-4-10(13)8-14/h2-3,6,10,15H,4-5,7-8,13H2,1H3
InChIKeyIGHXJBHWBMHKAZ-UHFFFAOYSA-N
XLogP0.93
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882000
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032
5-methoxy-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenol
CID 82983416
5-methoxy-2-[(3-propylpyrrolidin-1-yl)methyl]phenol
CID 112548941
1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-4-ol
CID 2845869
(3S)-1-[(2-bromo-5-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115302526
(3S)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120966557
1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 167531121
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
2-[(4-benzylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 783532

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol?
The IUPAC name of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol (CID 62067190) is 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol is COc1ccc(CN2CCC(N)C2)c(O)c1.
What is the InChIKey of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol?
The InChIKey is IGHXJBHWBMHKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-11-3-2-9(12(15)6-11)7-14-5-4-10(13)8-14/h2-3,6,10,15H,4-5,7-8,13H2,1H3.
What are the key properties of 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol?
2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol has a molecular weight of 222.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminopyrrolidin-1-yl)methyl]-5-methoxyphenol is sourced from PubChem (CID 62067190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).