3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one

C14H15NO2 — CID 116915440

IUPAC3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(=O)CCN)ccc2c1
InChIInChI=1S/C14H15NO2/c1-17-13-5-4-10-8-12(14(16)6-7-15)3-2-11(10)9-13/h2-5,8-9H,6-7,15H2,1H3
InChIKeyTUMDUKWWCIVSFR-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.38
Rot. Bonds4

About 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one

3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one (PubChem CID 116915440) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
PubChem CID116915440
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one
SMILESCOc1ccc2cc(C(=O)CCN)ccc2c1
InChIInChI=1S/C14H15NO2/c1-17-13-5-4-10-8-12(14(16)6-7-15)3-2-11(10)9-13/h2-5,8-9H,6-7,15H2,1H3
InChIKeyTUMDUKWWCIVSFR-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(6-methoxynaphthalen-2-yl)butan-1-one
CID 146007341
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
3-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 2751547
1-(6-methoxynaphthalen-2-yl)tetradecan-1-one
CID 608289
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915436
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
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
5-(dimethylamino)-1-(6-methoxynaphthalen-2-yl)pentan-1-one
CID 59200508
1-(6-methoxynaphthalen-2-yl)-2-(4-methylphenyl)ethanone
CID 135061178
6-amino-1-(4-methoxyphenyl)-4,4-dimethylhexan-1-one
CID 116574854
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one?
The IUPAC name of 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one (CID 116915440) is 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one is COc1ccc2cc(C(=O)CCN)ccc2c1.
What is the InChIKey of 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one?
The InChIKey is TUMDUKWWCIVSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-13-5-4-10-8-12(14(16)6-7-15)3-2-11(10)9-13/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one?
3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one has a molecular weight of 229.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-methoxynaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 116915440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).