2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one

C13H17NO — CID 23812

IUPAC2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)CC1CCc2ccccc2C1=O
InChIInChI=1S/C13H17NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15/h3-6,11H,7-9H2,1-2H3
InChIKeyOMCOACHXKJOZMD-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.99
Rot. Bonds2

About 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one

2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 23812) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID23812
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESCN(C)CC1CCc2ccccc2C1=O
InChIInChI=1S/C13H17NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15/h3-6,11H,7-9H2,1-2H3
InChIKeyOMCOACHXKJOZMD-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one (CID 23812) is 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one is CN(C)CC1CCc2ccccc2C1=O.
What is the InChIKey of 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is OMCOACHXKJOZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15/h3-6,11H,7-9H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one?
2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 203.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 23812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).