2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine

C14H18ClN — CID 105497348

IUPAC2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESClc1ccc2c(c1)CCC(C1CCCN1)C2
InChIInChI=1S/C14H18ClN/c15-13-6-5-10-8-12(4-3-11(10)9-13)14-2-1-7-16-14/h5-6,9,12,14,16H,1-4,7-8H2
InChIKeyOLCPWUQHORTRLE-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.20
Rot. Bonds1

About 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine

2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine (PubChem CID 105497348) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
PubChem CID105497348
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESClc1ccc2c(c1)CCC(C1CCCN1)C2
InChIInChI=1S/C14H18ClN/c15-13-6-5-10-8-12(4-3-11(10)9-13)14-2-1-7-16-14/h5-6,9,12,14,16H,1-4,7-8H2
InChIKeyOLCPWUQHORTRLE-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-chloro-3,4-dihydro-2H-chromen-2-yl)pyrrolidine
CID 117046569
2-[(1R)-6-chloro-3,4-dihydro-1H-isochromen-1-yl]pyrrolidine
CID 122456666
(4aS,10aS)-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinolin-7-ol
CID 54031293
7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720668
1-(2,5-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714118
6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
CID 83878665
2-(8-chloro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
CID 105499907
2-(7-fluoro-3,4-dihydro-2H-chromen-3-yl)pyrrolidine
CID 105477601
(5-chloro-2-fluorophenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259160
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119744300
2-azido-6-chloro-1,2,3,4-tetrahydronaphthalene
CID 90898481
8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720669

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine (CID 105497348) is 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine is Clc1ccc2c(c1)CCC(C1CCCN1)C2.
What is the InChIKey of 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
The InChIKey is OLCPWUQHORTRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-6-5-10-8-12(4-3-11(10)9-13)14-2-1-7-16-14/h5-6,9,12,14,16H,1-4,7-8H2.
What are the key properties of 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine has a molecular weight of 235.76 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 105497348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).