[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol

C11H14FIN2O — CID 66101661

IUPAC[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
SMILESNc1cc(I)c(F)cc1N1CCCC1CO
InChIInChI=1S/C11H14FIN2O/c12-8-4-11(10(14)5-9(8)13)15-3-1-2-7(15)6-16/h4-5,7,16H,1-3,6,14H2
InChIKeyNSOOFHLRCUYNKZ-UHFFFAOYSA-N
MW336.15 g/mol
LogP1.97
Rot. Bonds2

About [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol

[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol (PubChem CID 66101661) has the molecular formula C11H14FIN2O and a molecular weight of 336.15 g/mol. Its IUPAC name is [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
PubChem CID66101661
Molecular FormulaC11H14FIN2O
Molecular Weight336.15 g/mol
Exact Mass336.01
IUPAC Name[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
SMILESNc1cc(I)c(F)cc1N1CCCC1CO
InChIInChI=1S/C11H14FIN2O/c12-8-4-11(10(14)5-9(8)13)15-3-1-2-7(15)6-16/h4-5,7,16H,1-3,6,14H2
InChIKeyNSOOFHLRCUYNKZ-UHFFFAOYSA-N
XLogP1.97
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.15
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol
CID 116735604
[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
CID 66093339
[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
CID 65342923
[1-(2-amino-4-fluoro-5-propoxyphenyl)azepan-2-yl]methanol
CID 116634014
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
[1-[4-(aminomethyl)-2,6-difluorophenyl]pyrrolidin-2-yl]methanol
CID 63076262
[1-[4-[(1S)-1-aminoethyl]-2-fluorophenyl]pyrrolidin-2-yl]methanol
CID 78934575
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
CID 61410897
[1-[4-(aminomethyl)-2-fluorophenyl]piperidin-2-yl]methanol
CID 61406388
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-fluoro-5-iodoaniline
CID 66101867
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol (CID 66101661) is [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol is Nc1cc(I)c(F)cc1N1CCCC1CO.
What is the InChIKey of [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is NSOOFHLRCUYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FIN2O/c12-8-4-11(10(14)5-9(8)13)15-3-1-2-7(15)6-16/h4-5,7,16H,1-3,6,14H2.
What are the key properties of [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol?
[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 336.15 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66101661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).