7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline

C19H23NO — CID 106778860

IUPAC7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(CCCc1ccccc1)NCC2
InChIInChI=1S/C19H23NO/c1-21-17-11-10-16-12-13-20-19(18(16)14-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,19-20H,5,8-9,12-13H2,1H3
InChIKeyXBYHHRPXVSCDJP-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.90
Rot. Bonds5

About 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline

7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106778860) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID106778860
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C(CCCc1ccccc1)NCC2
InChIInChI=1S/C19H23NO/c1-21-17-11-10-16-12-13-20-19(18(16)14-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,19-20H,5,8-9,12-13H2,1H3
InChIKeyXBYHHRPXVSCDJP-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780647
1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970438
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
1-benzyl-7-octoxy-1,2,3,4-tetrahydroisoquinoline
CID 141386666
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
1-benzyl-8-methoxy-1,2,4,5-tetrahydro-2-benzazepin-3-one
CID 70982269
(1S)-1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 96961625
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
1-methyl-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 62373258
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 106778860) is 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C(CCCc1ccccc1)NCC2.
What is the InChIKey of 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XBYHHRPXVSCDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-21-17-11-10-16-12-13-20-19(18(16)14-17)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,19-20H,5,8-9,12-13H2,1H3.
What are the key properties of 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline?
7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 281.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(3-phenylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106778860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).