3-(3-aminopyrrolidin-1-yl)phenol

C10H14N2O — CID 57034127

IUPAC3-(3-aminopyrrolidin-1-yl)phenol
SMILESNC1CCN(c2cccc(O)c2)C1
InChIInChI=1S/C10H14N2O/c11-8-4-5-12(7-8)9-2-1-3-10(13)6-9/h1-3,6,8,13H,4-5,7,11H2
InChIKeyLOVROAPNUVBFSJ-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.93
Rot. Bonds1

About 3-(3-aminopyrrolidin-1-yl)phenol

3-(3-aminopyrrolidin-1-yl)phenol (PubChem CID 57034127) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-(3-aminopyrrolidin-1-yl)phenol.

Molecular Properties

Compound Name3-(3-aminopyrrolidin-1-yl)phenol
PubChem CID57034127
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-(3-aminopyrrolidin-1-yl)phenol
SMILESNC1CCN(c2cccc(O)c2)C1
InChIInChI=1S/C10H14N2O/c11-8-4-5-12(7-8)9-2-1-3-10(13)6-9/h1-3,6,8,13H,4-5,7,11H2
InChIKeyLOVROAPNUVBFSJ-UHFFFAOYSA-N
XLogP0.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
1-(3-hydroxyphenyl)piperidin-4-ol
CID 59526962
3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
(3R)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663652
(3S)-1-(4-bromophenyl)pyrrolidin-3-amine
CID 51663654
(3S)-1-phenylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 122677958
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
1-(3-hydroxyphenyl)azepan-4-ol
CID 115025213
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
CID 91623879
1-thiophen-3-ylpyrrolidin-3-amine
CID 65099888

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopyrrolidin-1-yl)phenol?
The IUPAC name of 3-(3-aminopyrrolidin-1-yl)phenol (CID 57034127) is 3-(3-aminopyrrolidin-1-yl)phenol.
What is the SMILES notation for 3-(3-aminopyrrolidin-1-yl)phenol?
The canonical SMILES for 3-(3-aminopyrrolidin-1-yl)phenol is NC1CCN(c2cccc(O)c2)C1.
What is the InChIKey of 3-(3-aminopyrrolidin-1-yl)phenol?
The InChIKey is LOVROAPNUVBFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-8-4-5-12(7-8)9-2-1-3-10(13)6-9/h1-3,6,8,13H,4-5,7,11H2.
What are the key properties of 3-(3-aminopyrrolidin-1-yl)phenol?
3-(3-aminopyrrolidin-1-yl)phenol has a molecular weight of 178.24 g/mol, XLogP of 0.93, 1 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)phenol is sourced from PubChem (CID 57034127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).