1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine

C15H16INO — CID 88905366

IUPAC1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine
SMILESCC1CC(Oc2ccc3ccccc3c2)CN1I
InChIInChI=1S/C15H16INO/c1-11-8-15(10-17(11)16)18-14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3
InChIKeyJPQTYSFCYLHSHQ-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.03
Rot. Bonds2

About 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine

1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine (PubChem CID 88905366) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine.

Molecular Properties

Compound Name1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine
PubChem CID88905366
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine
SMILESCC1CC(Oc2ccc3ccccc3c2)CN1I
InChIInChI=1S/C15H16INO/c1-11-8-15(10-17(11)16)18-14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3
InChIKeyJPQTYSFCYLHSHQ-UHFFFAOYSA-N
XLogP4.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nafoxidine
CID 4416
Nafoxidine Hydrochloride
CID 15805
1-((1-Methylethyl)amino)-3-(2-naphthalenyloxy)-2-propanol
CID 2769826
SC 27716
CID 10333202
(+/-)-3-((Naphthalen-2-yloxy)methyl)pyrrolidine
CID 44592197
8-[4-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxyphenyl]-7-(4-hydroxyphenyl)-5,6-dihydronaphthalen-2-ol
CID 134521164
1-[2-[4-(1-Methyl-1-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 1329134
Pyrrolidine, 1-[4-(1-naphthalenyloxy)butyl]-
CID 2237947
1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-(1-methylethyl)-3-(1-naphthalenyloxy)-, iodide (1:1)
CID 38088
Pranolium
CID 38089
(2R)-2-methyl-1-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine
CID 24936098
7-(4-hydroxyphenyl)-8-[4-[(3S)-1-propylpyrrolidin-3-yl]oxyphenyl]-5,6-dihydronaphthalen-2-ol
CID 155529729

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine?
The IUPAC name of 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine (CID 88905366) is 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine.
What is the SMILES notation for 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine?
The canonical SMILES for 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine is CC1CC(Oc2ccc3ccccc3c2)CN1I.
What is the InChIKey of 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine?
The InChIKey is JPQTYSFCYLHSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-11-8-15(10-17(11)16)18-14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9,11,15H,8,10H2,1H3.
What are the key properties of 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine?
1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine has a molecular weight of 353.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methyl-4-naphthalen-2-yloxypyrrolidine is sourced from PubChem (CID 88905366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).