(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline

C11H15N — CID 14548165

IUPAC(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESC[C@H]1Cc2ccccc2CN1C
InChIInChI=1S/C11H15N/c1-9-7-10-5-3-4-6-11(10)8-12(9)2/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOSHNQAZTSFMABP-VIFPVBQESA-N
MW161.25 g/mol
LogP2.06
Rot. Bonds

About (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline

(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 14548165) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID14548165
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESC[C@H]1Cc2ccccc2CN1C
InChIInChI=1S/C11H15N/c1-9-7-10-5-3-4-6-11(10)8-12(9)2/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyOSHNQAZTSFMABP-VIFPVBQESA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline (CID 14548165) is (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline is C[C@H]1Cc2ccccc2CN1C.
What is the InChIKey of (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is OSHNQAZTSFMABP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15N/c1-9-7-10-5-3-4-6-11(10)8-12(9)2/h3-6,9H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline?
(3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 161.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,3-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 14548165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).