3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine

C15H20ClN — CID 63771318

IUPAC3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
SMILESClC1CCN(CC2CCCc3ccccc32)C1
InChIInChI=1S/C15H20ClN/c16-14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7,13-14H,3,5-6,8-11H2
InChIKeyHMTDXAHVAMXURP-UHFFFAOYSA-N
MW249.78 g/mol
LogP3.42
Rot. Bonds2

About 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine

3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine (PubChem CID 63771318) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
PubChem CID63771318
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
SMILESClC1CCN(CC2CCCc3ccccc32)C1
InChIInChI=1S/C15H20ClN/c16-14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7,13-14H,3,5-6,8-11H2
InChIKeyHMTDXAHVAMXURP-UHFFFAOYSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64833584
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
CID 77041361
1-(2,3-dihydro-1H-inden-1-ylmethyl)pyrrolidine-3-carboxamide
CID 126798297
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
N-[1-(4-methylpiperazin-1-yl)propan-2-yl]-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 75455738
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine
CID 102936725
[(2R)-oxolan-2-yl]-[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]piperazin-1-yl]methanone
CID 98946929

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
The IUPAC name of 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine (CID 63771318) is 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
The canonical SMILES for 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine is ClC1CCN(CC2CCCc3ccccc32)C1.
What is the InChIKey of 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
The InChIKey is HMTDXAHVAMXURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c16-14-8-9-17(11-14)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7,13-14H,3,5-6,8-11H2.
What are the key properties of 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine?
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine has a molecular weight of 249.78 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 63771318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).