(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C13H19N — CID 59084899

IUPAC(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C13H19N/c1-10(2)7-13-8-11-5-3-4-6-12(11)9-14-13/h3-6,10,13-14H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyAMJQHOGLKIZODY-CYBMUJFWSA-N
MW189.30 g/mol
LogP2.75
Rot. Bonds2

About (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 59084899) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID59084899
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C13H19N/c1-10(2)7-13-8-11-5-3-4-6-12(11)9-14-13/h3-6,10,13-14H,7-9H2,1-2H3/t13-/m1/s1
InChIKeyAMJQHOGLKIZODY-CYBMUJFWSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methylpropyl)-7-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 63489421
(3S)-3-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 67709513
[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanamine;hydrochloride
CID 156592430
3-(bromomethyl)-1,2,3,4-tetrahydroisoquinoline
CID 71381550
(3S)-3-(methoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 100971194
(3R)-3-(2,2-dimethylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59639486
1-(4-methylphenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)methanimine
CID 11086653
5-(difluoromethoxy)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62786265
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
2-N-ethyl-1-N,1-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propane-1,2-diamine
CID 103189516
1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine
CID 54946640
3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 123461490

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 59084899) is (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is CC(C)C[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AMJQHOGLKIZODY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)7-13-8-11-5-3-4-6-12(11)9-14-13/h3-6,10,13-14H,7-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 189.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 59084899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).