4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

C13H19N — CID 110457310

IUPAC4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC1CN(C(C)C)Cc2ccccc21
InChIInChI=1S/C13H19N/c1-10(2)14-8-11(3)13-7-5-4-6-12(13)9-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyQOJPJZMGPDUSPJ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.01
Rot. Bonds1

About 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline

4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 110457310) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID110457310
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCC1CN(C(C)C)Cc2ccccc21
InChIInChI=1S/C13H19N/c1-10(2)14-8-11(3)13-7-5-4-6-12(13)9-14/h4-7,10-11H,8-9H2,1-3H3
InChIKeyQOJPJZMGPDUSPJ-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline (CID 110457310) is 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is CC1CN(C(C)C)Cc2ccccc21.
What is the InChIKey of 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is QOJPJZMGPDUSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)14-8-11(3)13-7-5-4-6-12(13)9-14/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline?
4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 189.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110457310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).