(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol

C11H15FN2O — CID 105464076

IUPAC(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol
SMILESNc1cc(F)ccc1C(O)C1CCNC1
InChIInChI=1S/C11H15FN2O/c12-8-1-2-9(10(13)5-8)11(15)7-3-4-14-6-7/h1-2,5,7,11,14-15H,3-4,6,13H2
InChIKeyREUVUIAMRPOSJV-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.05
Rot. Bonds2

About (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol

(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol (PubChem CID 105464076) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol
PubChem CID105464076
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol
SMILESNc1cc(F)ccc1C(O)C1CCNC1
InChIInChI=1S/C11H15FN2O/c12-8-1-2-9(10(13)5-8)11(15)7-3-4-14-6-7/h1-2,5,7,11,14-15H,3-4,6,13H2
InChIKeyREUVUIAMRPOSJV-UHFFFAOYSA-N
XLogP1.05
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
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

(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
(5-fluoro-2-methylphenyl)-piperidin-4-ylmethanol
CID 80560260
azetidin-3-yl-(2,5-difluorophenyl)methanol
CID 130510268
(5-bromo-2-methylphenyl)-pyrrolidin-3-ylmethanol
CID 83693932
4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidine
CID 90039118
[2-(2-aminoethyl)phenyl]-pyrrolidin-3-ylmethanol
CID 115032230
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
5-fluoro-2-piperidin-4-ylaniline
CID 117103758
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(2-amino-4-fluorophenyl)-piperidin-4-ylmethanone
CID 105479129

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol?
The IUPAC name of (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol (CID 105464076) is (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol.
What is the SMILES notation for (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol?
The canonical SMILES for (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol is Nc1cc(F)ccc1C(O)C1CCNC1.
What is the InChIKey of (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol?
The InChIKey is REUVUIAMRPOSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-8-1-2-9(10(13)5-8)11(15)7-3-4-14-6-7/h1-2,5,7,11,14-15H,3-4,6,13H2.
What are the key properties of (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol?
(2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol has a molecular weight of 210.25 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)-pyrrolidin-3-ylmethanol is sourced from PubChem (CID 105464076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).