1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one

C15H17NO2 — CID 116955950

IUPAC1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H17NO2/c1-10(17)15(16-2)13-5-4-12-9-14(18-3)7-6-11(12)8-13/h4-9,15-16H,1-3H3
InChIKeyMGTQXPYLMCXCMI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds4

About 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one

1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one (PubChem CID 116955950) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one
PubChem CID116955950
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one
SMILESCNC(C(C)=O)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H17NO2/c1-10(17)15(16-2)13-5-4-12-9-14(18-3)7-6-11(12)8-13/h4-9,15-16H,1-3H3
InChIKeyMGTQXPYLMCXCMI-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
methyl 2-amino-2-(6-methoxynaphthalen-2-yl)acetate
CID 54022420
2-(4-methoxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 82470540
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)ethanol
CID 61055119
2-(cyclopropylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 43754550
2-(6-methoxynaphthalen-2-yl)-2-(propylamino)acetamide
CID 60795776
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
2-amino-2-(6-methoxynaphthalen-2-yl)-N'-methylacetohydrazide
CID 116849464
N-hydroxy-N-[1-(6-methoxynaphthalen-2-yl)ethyl]acetamide
CID 57042086
2-(cyclopropylmethylamino)-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 61001340
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one (CID 116955950) is 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one is CNC(C(C)=O)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one?
The InChIKey is MGTQXPYLMCXCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10(17)15(16-2)13-5-4-12-9-14(18-3)7-6-11(12)8-13/h4-9,15-16H,1-3H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one?
1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one has a molecular weight of 243.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-1-(methylamino)propan-2-one is sourced from PubChem (CID 116955950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).