2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine

C21H25N3 — CID 69000880

IUPAC2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
SMILESCN1Cc2cc(C(C)(C)N)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H25N3/c1-21(2,22)16-8-9-17-15(10-16)12-24(3)13-18(17)20-11-14-6-4-5-7-19(14)23-20/h4-11,18,23H,12-13,22H2,1-3H3
InChIKeyRZKGVXPMMJGUAJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.94
Rot. Bonds2

About 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine

2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine (PubChem CID 69000880) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
PubChem CID69000880
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine
SMILESCN1Cc2cc(C(C)(C)N)ccc2C(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C21H25N3/c1-21(2,22)16-8-9-17-15(10-16)12-24(3)13-18(17)20-11-14-6-4-5-7-19(14)23-20/h4-11,18,23H,12-13,22H2,1-3H3
InChIKeyRZKGVXPMMJGUAJ-UHFFFAOYSA-N
XLogP3.94
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine?
The IUPAC name of 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine (CID 69000880) is 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine.
What is the SMILES notation for 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine?
The canonical SMILES for 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine is CN1Cc2cc(C(C)(C)N)ccc2C(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine?
The InChIKey is RZKGVXPMMJGUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-21(2,22)16-8-9-17-15(10-16)12-24(3)13-18(17)20-11-14-6-4-5-7-19(14)23-20/h4-11,18,23H,12-13,22H2,1-3H3.
What are the key properties of 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine?
2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine has a molecular weight of 319.45 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-2-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]propan-2-amine is sourced from PubChem (CID 69000880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).