3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one

C17H21NO — CID 116923574

IUPAC3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
SMILESCNCC(C(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NO/c1-12(2)16(11-18-3)17(19)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16,18H,11H2,1-3H3
InChIKeyJLJURGAKJHZBTL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.51
Rot. Bonds5

About 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one

3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one (PubChem CID 116923574) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
PubChem CID116923574
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one
SMILESCNCC(C(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H21NO/c1-12(2)16(11-18-3)17(19)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16,18H,11H2,1-3H3
InChIKeyJLJURGAKJHZBTL-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-(methylamino)-1-naphthalen-2-ylpropan-1-one
CID 116826843
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
2-methoxy-1-naphthalen-2-ylpropan-1-one
CID 79616176
(2R)-2-amino-1-naphthalen-2-ylpropan-1-one
CID 67852700
(2R)-2-chloro-1-naphthalen-2-ylpropan-1-one
CID 93494503
(2S)-1-naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
CID 781909
(2R)-2-(methylamino)-1-naphthalen-2-ylpentan-1-one
CID 124518898
diethyl-[(2S)-1-naphthalen-2-yl-1-oxopropan-2-yl]azanium
CID 6942690
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315
2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 116553536
dimethyl 2,4-bis(naphthalene-2-carbonyl)pentanedioate
CID 102483861
N-(4-bromo-2-methylbutyl)naphthalene-2-carboxamide
CID 114316931

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one (CID 116923574) is 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one is CNCC(C(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one?
The InChIKey is JLJURGAKJHZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12(2)16(11-18-3)17(19)15-9-8-13-6-4-5-7-14(13)10-15/h4-10,12,16,18H,11H2,1-3H3.
What are the key properties of 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one?
3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one has a molecular weight of 255.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)-1-naphthalen-2-ylbutan-1-one is sourced from PubChem (CID 116923574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).