7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline

C17H18ClNO — CID 83970620

IUPAC7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2NC(C)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H18ClNO/c1-11-9-13-3-6-14(18)10-16(13)17(19-11)12-4-7-15(20-2)8-5-12/h3-8,10-11,17,19H,9H2,1-2H3
InChIKeyNZPSTYUZURBOHJ-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.97
Rot. Bonds2

About 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline

7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83970620) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83970620
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2NC(C)Cc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H18ClNO/c1-11-9-13-3-6-14(18)10-16(13)17(19-11)12-4-7-15(20-2)8-5-12/h3-8,10-11,17,19H,9H2,1-2H3
InChIKeyNZPSTYUZURBOHJ-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline (CID 83970620) is 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(C2NC(C)Cc3ccc(Cl)cc32)cc1.
What is the InChIKey of 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NZPSTYUZURBOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-9-13-3-6-14(18)10-16(13)17(19-11)12-4-7-15(20-2)8-5-12/h3-8,10-11,17,19H,9H2,1-2H3.
What are the key properties of 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline?
7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 287.79 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83970620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).