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

C11H15IN2O — CID 66093339

IUPAC[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
SMILESNc1ccc(N2CCCC2CO)c(I)c1
InChIInChI=1S/C11H15IN2O/c12-10-6-8(13)3-4-11(10)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7,13H2
InChIKeyBIFRBGWERNPJBO-UHFFFAOYSA-N
MW318.16 g/mol
LogP1.83
Rot. Bonds2

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

[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol (PubChem CID 66093339) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
PubChem CID66093339
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC Name[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol
SMILESNc1ccc(N2CCCC2CO)c(I)c1
InChIInChI=1S/C11H15IN2O/c12-10-6-8(13)3-4-11(10)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7,13H2
InChIKeyBIFRBGWERNPJBO-UHFFFAOYSA-N
XLogP1.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 51.83
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

4-(2-ethylpyrrolidin-1-yl)-3-iodoaniline
CID 66094979
[1-(4-amino-2-methylphenyl)pyrrolidin-2-yl]methanol
CID 61410897
[1-(2-iodo-4-nitrophenyl)pyrrolidin-2-yl]methanol
CID 66094331
[1-(2-amino-5-fluoro-4-iodophenyl)pyrrolidin-2-yl]methanol
CID 66101661
5-amino-2-[2-(hydroxymethyl)piperidin-1-yl]benzamide
CID 61407227
[1-(2-iodo-4-nitrophenyl)piperidin-2-yl]methanol
CID 66093918
4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-3-iodoaniline
CID 114086195
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
CID 65342923
3-chloro-4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 63092296
5-bromo-2-[2-(hydroxymethyl)pyrrolidin-1-yl]benzonitrile
CID 114890498
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol (CID 66093339) is [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol is Nc1ccc(N2CCCC2CO)c(I)c1.
What is the InChIKey of [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol?
The InChIKey is BIFRBGWERNPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c12-10-6-8(13)3-4-11(10)14-5-1-2-9(14)7-15/h3-4,6,9,15H,1-2,5,7,13H2.
What are the key properties of [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol?
[1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol has a molecular weight of 318.16 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-2-iodophenyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 66093339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).