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

C12H18N2O — CID 62068559

IUPAC3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
SMILESCC(c1cccc(O)c1)N1CCC(N)C1
InChIInChI=1S/C12H18N2O/c1-9(14-6-5-11(13)8-14)10-3-2-4-12(15)7-10/h2-4,7,9,11,15H,5-6,8,13H2,1H3
InChIKeyJXLNJQYAVPASRD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds2

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

3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol (PubChem CID 62068559) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
PubChem CID62068559
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
SMILESCC(c1cccc(O)c1)N1CCC(N)C1
InChIInChI=1S/C12H18N2O/c1-9(14-6-5-11(13)8-14)10-3-2-4-12(15)7-10/h2-4,7,9,11,15H,5-6,8,13H2,1H3
InChIKeyJXLNJQYAVPASRD-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
3-[1-(4-cyclopentylpiperazin-1-yl)ethyl]phenol
CID 82979909
3-[1-(4-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63990737
3-[1-(3-aminopiperidin-1-yl)ethyl]benzonitrile
CID 63991329
1-[1-(4-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917726
5-[1-(3-ethylpyrrolidin-1-yl)ethyl]benzene-1,3-diol
CID 107708196
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
[1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918135
2-(3-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanethioamide
CID 84750146
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384
1-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917520

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol?
The IUPAC name of 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol (CID 62068559) is 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol.
What is the SMILES notation for 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol?
The canonical SMILES for 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol is CC(c1cccc(O)c1)N1CCC(N)C1.
What is the InChIKey of 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol?
The InChIKey is JXLNJQYAVPASRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(14-6-5-11(13)8-14)10-3-2-4-12(15)7-10/h2-4,7,9,11,15H,5-6,8,13H2,1H3.
What are the key properties of 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol?
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol is sourced from PubChem (CID 62068559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).