4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one

C15H17NO2 — CID 115235467

IUPAC4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
SMILESCOc1ccc2cc(NCCC(C)=O)ccc2c1
InChIInChI=1S/C15H17NO2/c1-11(17)7-8-16-14-5-3-13-10-15(18-2)6-4-12(13)9-14/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyHTIUDMJDACWRKW-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.24
Rot. Bonds5

About 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one

4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one (PubChem CID 115235467) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one.

Molecular Properties

Compound Name4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
PubChem CID115235467
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
SMILESCOc1ccc2cc(NCCC(C)=O)ccc2c1
InChIInChI=1S/C15H17NO2/c1-11(17)7-8-16-14-5-3-13-10-15(18-2)6-4-12(13)9-14/h3-6,9-10,16H,7-8H2,1-2H3
InChIKeyHTIUDMJDACWRKW-UHFFFAOYSA-N
XLogP3.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-methoxynaphthalen-2-yl)amino]butan-1-ol
CID 115217433
3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
CID 102095351
6-methoxy-N-(2,2,2-trifluoroethyl)naphthalen-2-amine
CID 115257711
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-cyclopropyl-N'-(6-methoxynaphthalen-2-yl)ethane-1,2-diamine
CID 115206803
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
4-hydroxy-N-(6-methoxynaphthalen-2-yl)butanamide
CID 115162836
3-(3-methoxyanilino)propanamide
CID 43131962
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
3-(3-fluoroanilino)-N-(4-methoxyphenyl)propanamide
CID 109039637
6-methoxy-N-methylnaphthalen-2-amine
CID 20594775
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one?
The IUPAC name of 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one (CID 115235467) is 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one.
What is the SMILES notation for 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one?
The canonical SMILES for 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one is COc1ccc2cc(NCCC(C)=O)ccc2c1.
What is the InChIKey of 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one?
The InChIKey is HTIUDMJDACWRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(17)7-8-16-14-5-3-13-10-15(18-2)6-4-12(13)9-14/h3-6,9-10,16H,7-8H2,1-2H3.
What are the key properties of 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one?
4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one has a molecular weight of 243.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one is sourced from PubChem (CID 115235467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).