1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C14H21NO — CID 62373597

IUPAC1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCCc2ccc(OC(C)C)cc21
InChIInChI=1S/C14H21NO/c1-4-14-13-9-12(16-10(2)3)6-5-11(13)7-8-15-14/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeySHKQROSICDKPSQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.07
Rot. Bonds3

About 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62373597) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID62373597
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCC1NCCc2ccc(OC(C)C)cc21
InChIInChI=1S/C14H21NO/c1-4-14-13-9-12(16-10(2)3)6-5-11(13)7-8-15-14/h5-6,9-10,14-15H,4,7-8H2,1-3H3
InChIKeySHKQROSICDKPSQ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970438
1-(phenoxymethyl)-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970440
7-methoxy-1-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780647
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-(4-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106543727
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
1-ethyl-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 83970812
3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687588
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 11287190
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 62373597) is 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CCC1NCCc2ccc(OC(C)C)cc21.
What is the InChIKey of 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is SHKQROSICDKPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-14-13-9-12(16-10(2)3)6-5-11(13)7-8-15-14/h5-6,9-10,14-15H,4,7-8H2,1-3H3.
What are the key properties of 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 219.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62373597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).