3-amino-2-pyrrolidin-3-ylphenol

C10H14N2O — CID 117103671

IUPAC3-amino-2-pyrrolidin-3-ylphenol
SMILESNc1cccc(O)c1C1CCNC1
InChIInChI=1S/C10H14N2O/c11-8-2-1-3-9(13)10(8)7-4-5-12-6-7/h1-3,7,12-13H,4-6,11H2
InChIKeyKGEVWISVMBPFGP-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.05
Rot. Bonds1

About 3-amino-2-pyrrolidin-3-ylphenol

3-amino-2-pyrrolidin-3-ylphenol (PubChem CID 117103671) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-amino-2-pyrrolidin-3-ylphenol.

Molecular Properties

Compound Name3-amino-2-pyrrolidin-3-ylphenol
PubChem CID117103671
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-amino-2-pyrrolidin-3-ylphenol
SMILESNc1cccc(O)c1C1CCNC1
InChIInChI=1S/C10H14N2O/c11-8-2-1-3-9(13)10(8)7-4-5-12-6-7/h1-3,7,12-13H,4-6,11H2
InChIKeyKGEVWISVMBPFGP-UHFFFAOYSA-N
XLogP1.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-2-pyrrolidin-3-ylaniline
CID 117103675
3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
2-amino-3-pyrrolidin-3-ylphenol
CID 117103712
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
(3S)-3-(2,6-dimethylphenyl)pyrrolidine
CID 93478436
4-bromo-3-fluoro-2-pyrrolidin-3-ylphenol
CID 84710037
2-amino-3-piperidin-4-ylphenol
CID 117103764
3-pyrrolidin-3-ylphenol
CID 12937992
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
2-ethyl-3-[(3R)-pyrrolidin-3-yl]phenol
CID 130691966
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-pyrrolidin-3-ylphenol?
The IUPAC name of 3-amino-2-pyrrolidin-3-ylphenol (CID 117103671) is 3-amino-2-pyrrolidin-3-ylphenol.
What is the SMILES notation for 3-amino-2-pyrrolidin-3-ylphenol?
The canonical SMILES for 3-amino-2-pyrrolidin-3-ylphenol is Nc1cccc(O)c1C1CCNC1.
What is the InChIKey of 3-amino-2-pyrrolidin-3-ylphenol?
The InChIKey is KGEVWISVMBPFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c11-8-2-1-3-9(13)10(8)7-4-5-12-6-7/h1-3,7,12-13H,4-6,11H2.
What are the key properties of 3-amino-2-pyrrolidin-3-ylphenol?
3-amino-2-pyrrolidin-3-ylphenol has a molecular weight of 178.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-pyrrolidin-3-ylphenol is sourced from PubChem (CID 117103671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).