3-(2-amino-1-pyrrolidin-1-ylethyl)phenol

C12H18N2O — CID 16790598

IUPAC3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
SMILESNCC(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C12H18N2O/c13-9-12(14-6-1-2-7-14)10-4-3-5-11(15)8-10/h3-5,8,12,15H,1-2,6-7,9,13H2
InChIKeyNKWGAFYJJLFWOL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.49
Rot. Bonds3

About 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol

3-(2-amino-1-pyrrolidin-1-ylethyl)phenol (PubChem CID 16790598) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol.

Molecular Properties

Compound Name3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
PubChem CID16790598
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
SMILESNCC(c1cccc(O)c1)N1CCCC1
InChIInChI=1S/C12H18N2O/c13-9-12(14-6-1-2-7-14)10-4-3-5-11(15)8-10/h3-5,8,12,15H,1-2,6-7,9,13H2
InChIKeyNKWGAFYJJLFWOL-UHFFFAOYSA-N
XLogP1.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-[3-(difluoromethyl)phenyl]-2-piperidin-1-ylethanamine
CID 115526755
3-[2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenol
CID 16786774
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
3-(2-amino-1-pyrrol-1-ylethyl)phenol
CID 82021308
3-(1-pyrrolidin-1-ylethyl)phenol
CID 13017918
2-(azepan-1-yl)-2-(3-propan-2-yloxyphenyl)ethanamine
CID 61212628
3-[[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82045257
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
3-(1-amino-2-piperidin-1-ylethyl)phenol
CID 117242599
(2S)-2-piperidin-1-yl-2-pyridin-3-ylethanamine
CID 30075732
3-[(1R)-3-hydroxy-1-piperazin-1-ylpropyl]phenol
CID 171188985

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol?
The IUPAC name of 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol (CID 16790598) is 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol.
What is the SMILES notation for 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol?
The canonical SMILES for 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol is NCC(c1cccc(O)c1)N1CCCC1.
What is the InChIKey of 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol?
The InChIKey is NKWGAFYJJLFWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-9-12(14-6-1-2-7-14)10-4-3-5-11(15)8-10/h3-5,8,12,15H,1-2,6-7,9,13H2.
What are the key properties of 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol?
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol has a molecular weight of 206.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-pyrrolidin-1-ylethyl)phenol is sourced from PubChem (CID 16790598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).