3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one

C15H17NO — CID 116915455

IUPAC3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
SMILESCNCCC(=O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H17NO/c1-11-3-4-13-10-14(6-5-12(13)9-11)15(17)7-8-16-2/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyIMFMBTDXSPJEQD-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.94
Rot. Bonds4

About 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one

3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one (PubChem CID 116915455) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
PubChem CID116915455
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
SMILESCNCCC(=O)c1ccc2cc(C)ccc2c1
InChIInChI=1S/C15H17NO/c1-11-3-4-13-10-14(6-5-12(13)9-11)15(17)7-8-16-2/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyIMFMBTDXSPJEQD-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-1-(3-methylphenyl)propan-1-one
CID 83695895
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915436
2-bromo-1-(6-methylnaphthalen-2-yl)ethanone
CID 12698900
CID 88929951
CID 88929951
3-(methylamino)-N-(6-methylnaphthalen-2-yl)propanamide
CID 115153197
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
1,3-dimethyl-5-[3-(methylamino)propanoyl]benzimidazol-2-one
CID 82498508
2-(6-methylnaphthalen-2-yl)-2-oxoacetaldehyde
CID 15032601
1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
CID 116561086
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-one
CID 3072558
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
mercury(2+);bis(6-methylnaphthalene-2-carboxylate)
CID 22604897

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one (CID 116915455) is 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one is CNCCC(=O)c1ccc2cc(C)ccc2c1.
What is the InChIKey of 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one?
The InChIKey is IMFMBTDXSPJEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11-3-4-13-10-14(6-5-12(13)9-11)15(17)7-8-16-2/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one?
3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one has a molecular weight of 227.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 116915455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).