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

C15H21NO — CID 58143304

IUPAC1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one
SMILESCC(=O)CC1(N(C)C)CCc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-12(17)10-15(16(2)3)9-8-13-6-4-5-7-14(13)11-15/h4-7H,8-11H2,1-3H3
InChIKeyTXHJSUDIMKQNRE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.45
Rot. Bonds3

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

1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one (PubChem CID 58143304) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one
PubChem CID58143304
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one
SMILESCC(=O)CC1(N(C)C)CCc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-12(17)10-15(16(2)3)9-8-13-6-4-5-7-14(13)11-15/h4-7H,8-11H2,1-3H3
InChIKeyTXHJSUDIMKQNRE-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one?
The IUPAC name of 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one (CID 58143304) is 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one is CC(=O)CC1(N(C)C)CCc2ccccc2C1.
What is the InChIKey of 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one?
The InChIKey is TXHJSUDIMKQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(17)10-15(16(2)3)9-8-13-6-4-5-7-14(13)11-15/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one?
1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]propan-2-one is sourced from PubChem (CID 58143304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).