8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

C16H16ClNO — CID 115104127

IUPAC8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(OCc2cccc3c2CNCC3)cc1
InChIInChI=1S/C16H16ClNO/c17-14-4-6-15(7-5-14)19-11-13-3-1-2-12-8-9-18-10-16(12)13/h1-7,18H,8-11H2
InChIKeyRRMNQCAAGGHXNY-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.56
Rot. Bonds3

About 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline

8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115104127) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115104127
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc(OCc2cccc3c2CNCC3)cc1
InChIInChI=1S/C16H16ClNO/c17-14-4-6-15(7-5-14)19-11-13-3-1-2-12-8-9-18-10-16(12)13/h1-7,18H,8-11H2
InChIKeyRRMNQCAAGGHXNY-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
N-[5-chloro-2-fluoro-4-(1,2,3,4-tetrahydroisoquinolin-8-ylmethoxy)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 145181835
8-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106777742
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
9-[3-(4-chlorophenoxy)propyl]-8-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 155511584
7-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 178142063
5-[(4-chlorophenoxy)methyl]-2,3-dihydro-1H-isoindole
CID 115104581
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
7-[(5-chloro-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 167432009
5-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline;N-methylmethanamine
CID 143839474

Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 115104127) is 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is Clc1ccc(OCc2cccc3c2CNCC3)cc1.
What is the InChIKey of 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RRMNQCAAGGHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-14-4-6-15(7-5-14)19-11-13-3-1-2-12-8-9-18-10-16(12)13/h1-7,18H,8-11H2.
What are the key properties of 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline?
8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 273.76 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115104127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).