3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine

C18H22ClNO — CID 57150141

IUPAC3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine
SMILESClCC1CCN(CCCOc2cccc3ccccc23)C1
InChIInChI=1S/C18H22ClNO/c19-13-15-9-11-20(14-15)10-4-12-21-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2
InChIKeyRJTDIFORCOBRKD-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.17
Rot. Bonds6

About 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine

3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine (PubChem CID 57150141) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine
PubChem CID57150141
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine
SMILESClCC1CCN(CCCOc2cccc3ccccc23)C1
InChIInChI=1S/C18H22ClNO/c19-13-15-9-11-20(14-15)10-4-12-21-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2
InChIKeyRJTDIFORCOBRKD-UHFFFAOYSA-N
XLogP4.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine 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

1-(2-naphthalen-1-yloxyethyl)pyrrolidin-3-amine
CID 71151906
[1-(2-naphthalen-1-yloxyethyl)azetidin-3-yl]methanamine
CID 71151801
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
1-(3-chloropropoxy)naphthalene
CID 12685615
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
6,7-dimethyl-2-[[1-(3-naphthalen-1-yloxypropyl)piperidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one
CID 57205242
1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
CID 48568943
(3R,5S)-3,5-dimethyl-1-(6-naphthalen-1-yloxyhexyl)piperidine
CID 7377531
6-[[1-(3-naphthalen-1-yloxypropyl)piperidin-3-yl]methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
CID 139722017
[1-(3-naphthalen-2-yloxypropyl)pyrrolidin-3-yl]methanol
CID 111442695
6-[[1-(3-naphthalen-1-yloxypropyl)piperidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one;hydrochloride
CID 139722039
3-ethyl-1-(3-phenoxypropyl)pyrrolidine
CID 126692357

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine (CID 57150141) is 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine is ClCC1CCN(CCCOc2cccc3ccccc23)C1.
What is the InChIKey of 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine?
The InChIKey is RJTDIFORCOBRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c19-13-15-9-11-20(14-15)10-4-12-21-18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,15H,4,9-14H2.
What are the key properties of 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine?
3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine has a molecular weight of 303.83 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine is sourced from PubChem (CID 57150141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).