2-amino-4-[(2R)-pyrrolidin-2-yl]phenol

C10H14N2O — CID 66518284

IUPAC2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
SMILESNc1cc([C@H]2CCCN2)ccc1O
InChIInChI=1S/C10H14N2O/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5,11H2/t9-/m1/s1
InChIKeyNGZVOHKBTLJZJC-SECBINFHSA-N
MW178.24 g/mol
LogP1.40
Rot. Bonds1

About 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol

2-amino-4-[(2R)-pyrrolidin-2-yl]phenol (PubChem CID 66518284) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
PubChem CID66518284
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
SMILESNc1cc([C@H]2CCCN2)ccc1O
InChIInChI=1S/C10H14N2O/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5,11H2/t9-/m1/s1
InChIKeyNGZVOHKBTLJZJC-SECBINFHSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
CID 66519029
2-hydroxy-5-pyrrolidin-2-ylbenzonitrile
CID 77131425
2-iodo-4-[(2S)-piperidin-2-yl]phenol
CID 130646263
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol?
The IUPAC name of 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol (CID 66518284) is 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol.
What is the SMILES notation for 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol?
The canonical SMILES for 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol is Nc1cc([C@H]2CCCN2)ccc1O.
What is the InChIKey of 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol?
The InChIKey is NGZVOHKBTLJZJC-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O/c11-8-6-7(3-4-10(8)13)9-2-1-5-12-9/h3-4,6,9,12-13H,1-2,5,11H2/t9-/m1/s1.
What are the key properties of 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol?
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol has a molecular weight of 178.24 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2R)-pyrrolidin-2-yl]phenol is sourced from PubChem (CID 66518284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).