3-methyl-3,4-dihydroisoquinolin-1-amine

C10H12N2 — CID 11744927

IUPAC3-methyl-3,4-dihydroisoquinolin-1-amine
SMILESCC1Cc2ccccc2C(N)=N1
InChIInChI=1S/C10H12N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-5,7H,6H2,1H3,(H2,11,12)
InChIKeyFWLROWLVILMULO-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.34
Rot. Bonds

About 3-methyl-3,4-dihydroisoquinolin-1-amine

3-methyl-3,4-dihydroisoquinolin-1-amine (PubChem CID 11744927) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-methyl-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-methyl-3,4-dihydroisoquinolin-1-amine
PubChem CID11744927
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-methyl-3,4-dihydroisoquinolin-1-amine
SMILESCC1Cc2ccccc2C(N)=N1
InChIInChI=1S/C10H12N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-5,7H,6H2,1H3,(H2,11,12)
InChIKeyFWLROWLVILMULO-UHFFFAOYSA-N
XLogP1.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Isoindol-3-amine, 1-imino-
CID 18980
N'-hydroxy-2-methylbenzene-1-carboximidamide
CID 5752321
3-Amino-1H-isoindole hydrochloride
CID 2795203
N-Hydroxy-2-methyl-benzamidine
CID 3098087
3,4-Dihydro-isoquinolin-1-ylamine
CID 9793824
N'-Cyanobenzenecarboximidamide
CID 270782
1H-isoindol-3-amine
CID 427859
1-Methyl-3,4-dihydroisoquinoline
CID 231502
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
n-Benzylacetamidine
CID 445678
8-Fluoro-3-phenyl-3,4-dihydro-isoquinolin-1-ylamine
CID 9873870
8-Fluoro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 10445220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-methyl-3,4-dihydroisoquinolin-1-amine (CID 11744927) is 3-methyl-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-methyl-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-methyl-3,4-dihydroisoquinolin-1-amine is CC1Cc2ccccc2C(N)=N1.
What is the InChIKey of 3-methyl-3,4-dihydroisoquinolin-1-amine?
The InChIKey is FWLROWLVILMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-7-6-8-4-2-3-5-9(8)10(11)12-7/h2-5,7H,6H2,1H3,(H2,11,12).
What are the key properties of 3-methyl-3,4-dihydroisoquinolin-1-amine?
3-methyl-3,4-dihydroisoquinolin-1-amine has a molecular weight of 160.22 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 11744927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).