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

C14H20ClNO — CID 118714798

IUPAC2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCC1CC(CN(C)C)C(=O)c2ccccc21.Cl
InChIInChI=1S/C14H19NO.ClH/c1-10-8-11(9-15(2)3)14(16)13-7-5-4-6-12(10)13;/h4-7,10-11H,8-9H2,1-3H3;1H
InChIKeyQDABRDDIHBBCPR-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.98
Rot. Bonds2

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

2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 118714798) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID118714798
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCC1CC(CN(C)C)C(=O)c2ccccc21.Cl
InChIInChI=1S/C14H19NO.ClH/c1-10-8-11(9-15(2)3)14(16)13-7-5-4-6-12(10)13;/h4-7,10-11H,8-9H2,1-3H3;1H
InChIKeyQDABRDDIHBBCPR-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 118714798) is 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is CC1CC(CN(C)C)C(=O)c2ccccc21.Cl.
What is the InChIKey of 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is QDABRDDIHBBCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-10-8-11(9-15(2)3)14(16)13-7-5-4-6-12(10)13;/h4-7,10-11H,8-9H2,1-3H3;1H.
What are the key properties of 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 118714798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).