2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one

C14H19NO — CID 123268404

IUPAC2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one
SMILESCC(C)C(=O)C1Cc2ccccc2C(C)N1
InChIInChI=1S/C14H19NO/c1-9(2)14(16)13-8-11-6-4-5-7-12(11)10(3)15-13/h4-7,9-10,13,15H,8H2,1-3H3
InChIKeyBTJAYNXIMQSKOI-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.49
Rot. Bonds2

About 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one

2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one (PubChem CID 123268404) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one
PubChem CID123268404
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one
SMILESCC(C)C(=O)C1Cc2ccccc2C(C)N1
InChIInChI=1S/C14H19NO/c1-9(2)14(16)13-8-11-6-4-5-7-12(11)10(3)15-13/h4-7,9-10,13,15H,8H2,1-3H3
InChIKeyBTJAYNXIMQSKOI-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)ethanone
CID 129028557
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
1-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 57259590
3-methyl-1-propan-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 64686607
6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 22326243
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(3R)-5-bromo-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
CID 156762888
2-methyl-1-[(2S)-1-methyl-2,3-dihydroindol-2-yl]propan-1-one
CID 71215026
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide
CID 19610257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one (CID 123268404) is 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one is CC(C)C(=O)C1Cc2ccccc2C(C)N1.
What is the InChIKey of 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one?
The InChIKey is BTJAYNXIMQSKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9(2)14(16)13-8-11-6-4-5-7-12(11)10(3)15-13/h4-7,9-10,13,15H,8H2,1-3H3.
What are the key properties of 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one?
2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one has a molecular weight of 217.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-1-one is sourced from PubChem (CID 123268404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).