7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C15H21Cl2N — CID 67537734

IUPAC7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1ccc2c(c1)C(C1CCCCC1)NCC2
InChIInChI=1S/C15H20ClN.ClH/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12;/h6-7,10,12,15,17H,1-5,8-9H2;1H
InChIKeyHOXMWPMQBCTBKB-UHFFFAOYSA-N
MW286.25 g/mol
LogP4.53
Rot. Bonds1

About 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride

7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 67537734) has the molecular formula C15H21Cl2N and a molecular weight of 286.25 g/mol. Its IUPAC name is 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID67537734
Molecular FormulaC15H21Cl2N
Molecular Weight286.25 g/mol
Exact Mass285.11
IUPAC Name7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Clc1ccc2c(c1)C(C1CCCCC1)NCC2
InChIInChI=1S/C15H20ClN.ClH/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12;/h6-7,10,12,15,17H,1-5,8-9H2;1H
InChIKeyHOXMWPMQBCTBKB-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 162662308
1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 83352811
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
9-chloro-1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,2-d][1]benzazepine
CID 171725247
5,7-dichloro-1-cyclopropyl-1,2,3,4-tetrahydroisoquinoline
CID 62373756
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrate;hydrochloride
CID 11658859
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrate;dihydrochloride
CID 66613234
6-chloro-1,2,3,3a,4,8b-hexahydroindeno[1,2-b]pyrrole
CID 83878665
2-chloro-1-(7-chloro-1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 59396503
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10465263
(5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 23652278
7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 54509971

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 67537734) is 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Clc1ccc2c(c1)C(C1CCCCC1)NCC2.
What is the InChIKey of 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is HOXMWPMQBCTBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN.ClH/c16-13-7-6-11-8-9-17-15(14(11)10-13)12-4-2-1-3-5-12;/h6-7,10,12,15,17H,1-5,8-9H2;1H.
What are the key properties of 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 286.25 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclohexyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 67537734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).