7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C15H23NO — CID 82129109

IUPAC7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc2c(c1)CNCC2CC(C)C
InChIInChI=1S/C15H23NO/c1-4-17-14-5-6-15-12(7-11(2)3)9-16-10-13(15)8-14/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3
InChIKeyDYQQNJIEUAAAGM-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.32
Rot. Bonds4

About 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82129109) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82129109
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1ccc2c(c1)CNCC2CC(C)C
InChIInChI=1S/C15H23NO/c1-4-17-14-5-6-15-12(7-11(2)3)9-16-10-13(15)8-14/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3
InChIKeyDYQQNJIEUAAAGM-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127533
(4R)-7-ethoxy-N,N-dipropyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9169656
6,7-dimethyl-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127242
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669
(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169681
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105477768
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277205
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169609
6-ethoxy-1-[4-(2-methylpropoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 4690847
4-[(3-bromophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104305

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 82129109) is 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is CCOc1ccc2c(c1)CNCC2CC(C)C.
What is the InChIKey of 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DYQQNJIEUAAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-17-14-5-6-15-12(7-11(2)3)9-16-10-13(15)8-14/h5-6,8,11-12,16H,4,7,9-10H2,1-3H3.
What are the key properties of 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 233.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82129109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).