2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one

C17H21NO2 — CID 71415166

IUPAC2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one
SMILESCCC(C(=O)c1ccc2cc(OC)ccc2c1)N(C)C
InChIInChI=1S/C17H21NO2/c1-5-16(18(2)3)17(19)14-7-6-13-11-15(20-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3
InChIKeyMXAZGZJZDIRHOB-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.37
Rot. Bonds5

About 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one

2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one (PubChem CID 71415166) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one
PubChem CID71415166
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one
SMILESCCC(C(=O)c1ccc2cc(OC)ccc2c1)N(C)C
InChIInChI=1S/C17H21NO2/c1-5-16(18(2)3)17(19)14-7-6-13-11-15(20-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3
InChIKeyMXAZGZJZDIRHOB-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
(2S)-2-(dimethylamino)-1-(4-methylphenyl)butan-1-one
CID 124518637
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
6-methoxy-N-methylnaphthalene-2-carbohydrazide
CID 116845699
1,5-bis(6-methoxynaphthalen-2-yl)-3-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]pentane-1,5-dione
CID 10793824
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
CID 13379507
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]azanium chloride
CID 141138578
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one (CID 71415166) is 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one is CCC(C(=O)c1ccc2cc(OC)ccc2c1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one?
The InChIKey is MXAZGZJZDIRHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-5-16(18(2)3)17(19)14-7-6-13-11-15(20-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one?
2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one has a molecular weight of 271.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)butan-1-one is sourced from PubChem (CID 71415166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).