1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline

C17H27NO — CID 64687801

IUPAC1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(C(C)(C)C)NCC2C
InChIInChI=1S/C17H27NO/c1-11(2)19-13-7-8-14-12(3)10-18-16(15(14)9-13)17(4,5)6/h7-9,11-12,16,18H,10H2,1-6H3
InChIKeyBHHPJPGKNGVBMM-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.27
Rot. Bonds2

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

1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64687801) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID64687801
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)Oc1ccc2c(c1)C(C(C)(C)C)NCC2C
InChIInChI=1S/C17H27NO/c1-11(2)19-13-7-8-14-12(3)10-18-16(15(14)9-13)17(4,5)6/h7-9,11-12,16,18H,10H2,1-6H3
InChIKeyBHHPJPGKNGVBMM-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-propan-2-yl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687395
1-tert-butyl-9-(difluoromethoxy)-4-methyl-1,2,3,4,5,6-hexahydro-2-benzazocine
CID 64688605
2,2,4-trimethyl-7-propan-2-yloxy-3,4-dihydro-1H-quinoline
CID 71367324
3-ethyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 64687588
7-tert-butyl-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64686570
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
(3S,4S)-3-methyl-4-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]piperidine
CID 69227649
3-(4-propan-2-yloxyphenoxy)azetidine
CID 138962087
1-ethyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 62373597
4-methyl-7-propoxy-1-propyl-1,2,3,4-tetrahydroisoquinoline
CID 64688394
1-benzyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 83970438

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline (CID 64687801) is 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is CC(C)Oc1ccc2c(c1)C(C(C)(C)C)NCC2C.
What is the InChIKey of 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BHHPJPGKNGVBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11(2)19-13-7-8-14-12(3)10-18-16(15(14)9-13)17(4,5)6/h7-9,11-12,16,18H,10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline?
1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 261.41 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-7-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64687801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).