(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine

C13H20N2 — CID 93302066

IUPAC(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
SMILESC[C@@H](N)CCN1CCc2ccccc2C1
InChIInChI=1S/C13H20N2/c1-11(14)6-8-15-9-7-12-4-2-3-5-13(12)10-15/h2-5,11H,6-10,14H2,1H3/t11-/m1/s1
InChIKeyBNCZXIZSYAGCLA-LLVKDONJSA-N
MW204.32 g/mol
LogP1.78
Rot. Bonds3

About (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine

(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine (PubChem CID 93302066) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
PubChem CID93302066
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
SMILESC[C@@H](N)CCN1CCc2ccccc2C1
InChIInChI=1S/C13H20N2/c1-11(14)6-8-15-9-7-12-4-2-3-5-13(12)10-15/h2-5,11H,6-10,14H2,1H3/t11-/m1/s1
InChIKeyBNCZXIZSYAGCLA-LLVKDONJSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine with MolForge

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Related Compounds

2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine
CID 57373865
(2R)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 142349412
4-amino-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pentanamide
CID 120564700
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
1-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619055
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62643238
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
1-(3-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619056

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine?
The IUPAC name of (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine (CID 93302066) is (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine.
What is the SMILES notation for (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine?
The canonical SMILES for (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine is C[C@@H](N)CCN1CCc2ccccc2C1.
What is the InChIKey of (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine?
The InChIKey is BNCZXIZSYAGCLA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(14)6-8-15-9-7-12-4-2-3-5-13(12)10-15/h2-5,11H,6-10,14H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine?
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine has a molecular weight of 204.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine is sourced from PubChem (CID 93302066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).