1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

C12H17N — CID 583452

IUPAC1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C1NCCc2ccccc21
InChIInChI=1S/C12H17N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyZGSAVXFMPOZYTJ-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.53
Rot. Bonds1

About 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 583452) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID583452
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)C1NCCc2ccccc21
InChIInChI=1S/C12H17N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyZGSAVXFMPOZYTJ-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dizocilpine
CID 180081
Fendiline
CID 3336
1,2,3,4-Tetrahydroisoquinoline
CID 7046
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
CID 98468
Fendiline Hydrochloride
CID 5702162
N-ethyl-1-phenylcyclohexanamine
CID 16622
2-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 15362
Isopropylbenzylamine
CID 66024
3-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 568974
1-Methyl-1,2,3,4-tetrahydroisoquinoline
CID 92214
Norbenzphetamine
CID 102554
2-Benzylpiperidine
CID 118004

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline (CID 583452) is 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is CC(C)C1NCCc2ccccc21.
What is the InChIKey of 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZGSAVXFMPOZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)12-11-6-4-3-5-10(11)7-8-13-12/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline?
1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 175.28 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 583452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).