1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline

C19H21NO2 — CID 122650537

IUPAC1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCCC1=NCCc2c1ccc(OCc1ccccc1)c2OC
InChIInChI=1S/C19H21NO2/c1-3-17-15-9-10-18(19(21-2)16(15)11-12-20-17)22-13-14-7-5-4-6-8-14/h4-10H,3,11-13H2,1-2H3
InChIKeyPLVPVAUHYMFVRD-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.03
Rot. Bonds5

About 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline

1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline (PubChem CID 122650537) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
PubChem CID122650537
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCCC1=NCCc2c1ccc(OCc1ccccc1)c2OC
InChIInChI=1S/C19H21NO2/c1-3-17-15-9-10-18(19(21-2)16(15)11-12-20-17)22-13-14-7-5-4-6-8-14/h4-10H,3,11-13H2,1-2H3
InChIKeyPLVPVAUHYMFVRD-UHFFFAOYSA-N
XLogP4.03
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 118966802
5-[(4-bromophenyl)methoxy]-1-hexyl-6-methoxy-3,4-dihydroisoquinoline
CID 16751228
1-[(2-bromo-5-phenylmethoxyphenyl)methyl]-6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinoline
CID 14240802
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
(1Z)-1-[(E)-5-chloro-3-phenylmethoxypent-3-en-2-ylidene]-5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-isoquinoline
CID 155017397
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162707023
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 54599714
5-butoxy-6-methoxy-1-methyl-3,4-dihydroisoquinoline
CID 3754904
4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
CID 13468257

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline (CID 122650537) is 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline is CCC1=NCCc2c1ccc(OCc1ccccc1)c2OC.
What is the InChIKey of 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
The InChIKey is PLVPVAUHYMFVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-17-15-9-10-18(19(21-2)16(15)11-12-20-17)22-13-14-7-5-4-6-8-14/h4-10H,3,11-13H2,1-2H3.
What are the key properties of 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline?
1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline has a molecular weight of 295.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 122650537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).