(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine

C11H14INO — CID 86321614

IUPAC(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
SMILESIc1ccccc1OC[C@H]1CCNC1
InChIInChI=1S/C11H14INO/c12-10-3-1-2-4-11(10)14-8-9-5-6-13-7-9/h1-4,9,13H,5-8H2/t9-/m0/s1
InChIKeyDQRGLNXUZPPRPC-VIFPVBQESA-N
MW303.14 g/mol
LogP2.28
Rot. Bonds3

About (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine

(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine (PubChem CID 86321614) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
PubChem CID86321614
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine
SMILESIc1ccccc1OC[C@H]1CCNC1
InChIInChI=1S/C11H14INO/c12-10-3-1-2-4-11(10)14-8-9-5-6-13-7-9/h1-4,9,13H,5-8H2/t9-/m0/s1
InChIKeyDQRGLNXUZPPRPC-VIFPVBQESA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
CID 53409948
1-(cyclopropylmethoxy)-2-iodobenzene
CID 61400120
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
3-[(2-propoxyphenoxy)methyl]pyrrolidine
CID 55064564
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
2-(pyrrolidin-3-ylmethoxy)pyridine
CID 62371943
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine?
The IUPAC name of (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine (CID 86321614) is (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine is Ic1ccccc1OC[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine?
The InChIKey is DQRGLNXUZPPRPC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14INO/c12-10-3-1-2-4-11(10)14-8-9-5-6-13-7-9/h1-4,9,13H,5-8H2/t9-/m0/s1.
What are the key properties of (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine?
(3S)-3-[(2-iodophenoxy)methyl]pyrrolidine has a molecular weight of 303.14 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-iodophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 86321614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).