6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline

C17H18ClNO — CID 110456922

IUPAC6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(c1)CCN(CCOc1ccccc1)C2
InChIInChI=1S/C17H18ClNO/c18-16-7-6-15-13-19(9-8-14(15)12-16)10-11-20-17-4-2-1-3-5-17/h1-7,12H,8-11,13H2
InChIKeyQPMFXGCZDDCWJX-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.78
Rot. Bonds4

About 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline

6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 110456922) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID110456922
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
SMILESClc1ccc2c(c1)CCN(CCOc1ccccc1)C2
InChIInChI=1S/C17H18ClNO/c18-16-7-6-15-13-19(9-8-14(15)12-16)10-11-20-17-4-2-1-3-5-17/h1-7,12H,8-11,13H2
InChIKeyQPMFXGCZDDCWJX-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]benzonitrile
CID 901228
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
6-chloro-3-(2-phenoxyethyl)-1,4-dihydroquinazolin-2-one
CID 175720040
5-chloro-1'-(2-phenoxyethyl)spiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 121418637
2-[4-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)butoxy]quinolin-8-ol
CID 72547397
7-chloro-2-[(E)-4-phenoxybut-1-enyl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 163427950
4-benzyl-1-[2-(4-chlorophenoxy)ethyl]-1,4-diazepan-5-one
CID 24733010
[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-yl]methanamine
CID 82581546
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline (CID 110456922) is 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline is Clc1ccc2c(c1)CCN(CCOc1ccccc1)C2.
What is the InChIKey of 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is QPMFXGCZDDCWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-16-7-6-15-13-19(9-8-14(15)12-16)10-11-20-17-4-2-1-3-5-17/h1-7,12H,8-11,13H2.
What are the key properties of 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline?
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.79 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110456922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).