1-methyl-3,4-dihydro-1H-isoquinolin-2-amine

C10H14N2 — CID 23043046

IUPAC1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
SMILESCC1c2ccccc2CCN1N
InChIInChI=1S/C10H14N2/c1-8-10-5-3-2-4-9(10)6-7-12(8)11/h2-5,8H,6-7,11H2,1H3
InChIKeyZVWBKDOGIZXCMJ-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.48
Rot. Bonds

About 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine

1-methyl-3,4-dihydro-1H-isoquinolin-2-amine (PubChem CID 23043046) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine.

Molecular Properties

Compound Name1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
PubChem CID23043046
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-methyl-3,4-dihydro-1H-isoquinolin-2-amine
SMILESCC1c2ccccc2CCN1N
InChIInChI=1S/C10H14N2/c1-8-10-5-3-2-4-9(10)6-7-12(8)11/h2-5,8H,6-7,11H2,1H3
InChIKeyZVWBKDOGIZXCMJ-UHFFFAOYSA-N
XLogP1.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
The IUPAC name of 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine (CID 23043046) is 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine.
What is the SMILES notation for 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
The canonical SMILES for 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine is CC1c2ccccc2CCN1N.
What is the InChIKey of 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
The InChIKey is ZVWBKDOGIZXCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-10-5-3-2-4-9(10)6-7-12(8)11/h2-5,8H,6-7,11H2,1H3.
What are the key properties of 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine?
1-methyl-3,4-dihydro-1H-isoquinolin-2-amine has a molecular weight of 162.24 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydro-1H-isoquinolin-2-amine is sourced from PubChem (CID 23043046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).