5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline

C14H18ClN — CID 82129477

IUPAC5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1C(C1CCCC1)CNC2
InChIInChI=1S/C14H18ClN/c15-13-7-3-6-11-8-16-9-12(14(11)13)10-4-1-2-5-10/h3,6-7,10,12,16H,1-2,4-5,8-9H2
InChIKeyPFEUVTOIQPJRRX-UHFFFAOYSA-N
MW235.76 g/mol
LogP3.72
Rot. Bonds1

About 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline

5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82129477) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82129477
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1C(C1CCCC1)CNC2
InChIInChI=1S/C14H18ClN/c15-13-7-3-6-11-8-16-9-12(14(11)13)10-4-1-2-5-10/h3,6-7,10,12,16H,1-2,4-5,8-9H2
InChIKeyPFEUVTOIQPJRRX-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 84699061
6-chloro-5-fluoro-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84721189
7-cyclohexyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 83707838
4-chloro-3-cyclobutyl-2,3-dihydroisoindol-1-one
CID 84735344
5-chloro-N-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 82584706
N-(5-chloro-1,2,3,4-tetrahydroisoquinolin-4-yl)-4-fluorobenzamide
CID 82585206
(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9168839
(1R,2S)-8-chloro-1,2,3,4-tetrahydronaphthalene-1,2-diol
CID 134294877
1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,4-d][2]benzazepine
CID 66819083
(1R)-7-chloro-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130707262
8-chloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 83358632
N-(5-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)cyclohexanecarboxamide
CID 82584968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline (CID 82129477) is 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline is Clc1cccc2c1C(C1CCCC1)CNC2.
What is the InChIKey of 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PFEUVTOIQPJRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN/c15-13-7-3-6-11-8-16-9-12(14(11)13)10-4-1-2-5-10/h3,6-7,10,12,16H,1-2,4-5,8-9H2.
What are the key properties of 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline?
5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 235.76 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopentyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82129477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).