2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline

C15H23N — CID 21303286

IUPAC2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)C1Cc2ccccc2CN1C(C)C
InChIInChI=1S/C15H23N/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyZWZRIMLAFPPXCN-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.48
Rot. Bonds2

About 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline

2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 21303286) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID21303286
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline
SMILESCC(C)C1Cc2ccccc2CN1C(C)C
InChIInChI=1S/C15H23N/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyZWZRIMLAFPPXCN-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline (CID 21303286) is 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline is CC(C)C1Cc2ccccc2CN1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZWZRIMLAFPPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11(2)15-9-13-7-5-6-8-14(13)10-16(15)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline?
2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 217.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 21303286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).