(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline

C15H14ClN — CID 96956787

IUPAC(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)CCN[C@H]2c1ccccc1
InChIInChI=1S/C15H14ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2/t15-/m0/s1
InChIKeyPVQUZKPQNVDNHD-HNNXBMFYSA-N
MW243.74 g/mol
LogP3.58
Rot. Bonds1

About (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline

(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 96956787) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID96956787
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)CCN[C@H]2c1ccccc1
InChIInChI=1S/C15H14ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2/t15-/m0/s1
InChIKeyPVQUZKPQNVDNHD-HNNXBMFYSA-N
XLogP3.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
1-(3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol;hydrochloride
CID 20787389
1-(2,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4287883
(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 14198574
(6S)-6-phenyl-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 42056106
2-chloro-4-phenyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
CID 84697255
(4S)-6-chloro-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 40649208
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
4-chloro-2-[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 96962536
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 142814527
1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate
CID 22358994
(1R)-1-pyridin-3-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 93031696

Frequently Asked Questions

What is the IUPAC name of (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 96956787) is (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline is Clc1ccc2c(c1)CCN[C@H]2c1ccccc1.
What is the InChIKey of (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PVQUZKPQNVDNHD-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2/t15-/m0/s1.
What are the key properties of (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
(1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 243.74 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 96956787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).