4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C16H25NO — CID 64687395

IUPAC4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(C(C)C)NCC2C
InChIInChI=1S/C16H25NO/c1-10(2)16-15-8-13(18-11(3)4)6-7-14(15)12(5)9-17-16/h6-8,10-12,16-17H,9H2,1-5H3
InChIKeyVSPZXTVLVCDFDL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.88
Rot. Bonds3

About 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687395) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687395
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(C(C)C)NCC2C
InChIInChI=1S/C16H25NO/c1-10(2)16-15-8-13(18-11(3)4)6-7-14(15)12(5)9-17-16/h6-8,10-12,16-17H,9H2,1-5H3
InChIKeyVSPZXTVLVCDFDL-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687801
4-methyl-1-propan-2-yl-7-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64687194
9-(difluoromethoxy)-4-methyl-1-propan-2-yl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 64688197
2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
CID 71367324
1-ethyl-7-methoxy-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 64689174
3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687588
5-methyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazinane
CID 66224794
(4S)-4-bromo-1,1-dimethyl-6-propan-2-yloxy-3,4-dihydroisochromene
CID 129391946
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 62373597
4,5,8-trimethyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686783
4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64688394

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 64687395) is 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CC(C)Oc1ccc2c(c1)C(C(C)C)NCC2C.
What is the InChIKey of 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is VSPZXTVLVCDFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10(2)16-15-8-13(18-11(3)4)6-7-14(15)12(5)9-17-16/h6-8,10-12,16-17H,9H2,1-5H3.
What are the key properties of 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.38 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).