3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride

C16H20ClNO2 — CID 2751547

IUPAC3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
SMILESCOc1ccc2cc(C(=O)CCN(C)C)ccc2c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-17(2)9-8-16(18)14-5-4-13-11-15(19-3)7-6-12(13)10-14;/h4-7,10-11H,8-9H2,1-3H3;1H
InChIKeyPRSQYOXADANXBT-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.40
Rot. Bonds5

About 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride

3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride (PubChem CID 2751547) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
PubChem CID2751547
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
SMILESCOc1ccc2cc(C(=O)CCN(C)C)ccc2c1.Cl
InChIInChI=1S/C16H19NO2.ClH/c1-17(2)9-8-16(18)14-5-4-13-11-15(19-3)7-6-12(13)10-14;/h4-7,10-11H,8-9H2,1-3H3;1H
InChIKeyPRSQYOXADANXBT-UHFFFAOYSA-N
XLogP3.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 116915440
4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
2-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]oxy-N,N-dimethylethanamine;hydrochloride
CID 74379261
3-(dimethylamino)-1-[3-[3-(dimethylamino)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 53349627
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
4-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298740

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride (CID 2751547) is 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride is COc1ccc2cc(C(=O)CCN(C)C)ccc2c1.Cl.
What is the InChIKey of 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
The InChIKey is PRSQYOXADANXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.ClH/c1-17(2)9-8-16(18)14-5-4-13-11-15(19-3)7-6-12(13)10-14;/h4-7,10-11H,8-9H2,1-3H3;1H.
What are the key properties of 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride has a molecular weight of 293.79 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 2751547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).