5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C14H19F2NO — CID 62786265

IUPAC5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1Cc2c(cccc2OC(F)F)CN1
InChIInChI=1S/C14H19F2NO/c1-9(2)6-11-7-12-10(8-17-11)4-3-5-13(12)18-14(15)16/h3-5,9,11,14,17H,6-8H2,1-2H3
InChIKeyXNNOVSYYVUUYLM-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.35
Rot. Bonds4

About 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62786265) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID62786265
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)CC1Cc2c(cccc2OC(F)F)CN1
InChIInChI=1S/C14H19F2NO/c1-9(2)6-11-7-12-10(8-17-11)4-3-5-13(12)18-14(15)16/h3-5,9,11,14,17H,6-8H2,1-2H3
InChIKeyXNNOVSYYVUUYLM-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 62786265) is 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)CC1Cc2c(cccc2OC(F)F)CN1.
What is the InChIKey of 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XNNOVSYYVUUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9(2)6-11-7-12-10(8-17-11)4-3-5-13(12)18-14(15)16/h3-5,9,11,14,17H,6-8H2,1-2H3.
What are the key properties of 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 255.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62786265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).