(1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone

C18H15NO2 — CID 67495113

IUPAC(1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3ccccc3c2N)cc1
InChIInChI=1S/C18H15NO2/c1-21-14-9-6-13(7-10-14)18(20)16-11-8-12-4-2-3-5-15(12)17(16)19/h2-11H,19H2,1H3
InChIKeyBUDUWUQOWHURFS-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.66
Rot. Bonds3

About (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone

(1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 67495113) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone
PubChem CID67495113
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3ccccc3c2N)cc1
InChIInChI=1S/C18H15NO2/c1-21-14-9-6-13(7-10-14)18(20)16-11-8-12-4-2-3-5-15(12)17(16)19/h2-11H,19H2,1H3
InChIKeyBUDUWUQOWHURFS-UHFFFAOYSA-N
XLogP3.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Amino-2-phenoxyanthracene-9,10-dione
CID 2833773
Anthraquinone, 1-amino-2-methoxy-
CID 25021
[4-(Dimethylamino)naphthalen-1-yl]-(4-methoxyphenyl)methanone
CID 44580811
6,10-dimethoxy-2-(4-methoxyphenyl)-1H-benzo[h]quinolin-4-one
CID 155525476
3-(3-Amino-4-benzoylphenyl)-5-methoxybenzonitrile
CID 168288399
3-(3-Amino-4-benzoylphenyl)-5-methoxybenzonitrile;hydrochloride
CID 168296060
(1-Amino-6-methoxynaphthalen-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 25180514
Sodium 2-[2-amino-3-(4-methoxybenzoyl)phenyl]acetate
CID 23710986
2-(6-Methoxy-2-naphthyl)-1-oxido-indol-1-ium-3-one
CID 25230152
[1,8-Bis(dimethylamino)-7-(4-methoxybenzoyl)naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 134841474
[1,8-Bis(dimethylamino)naphthalen-2-yl]-(4-methoxyphenyl)methanone
CID 134841475
[4-Amino-3-(4-methoxybenzoyl)-2,5,6-triphenylphenyl]-(4-methoxyphenyl)methanone
CID 134924399

Frequently Asked Questions

What is the IUPAC name of (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone (CID 67495113) is (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3ccccc3c2N)cc1.
What is the InChIKey of (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is BUDUWUQOWHURFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-21-14-9-6-13(7-10-14)18(20)16-11-8-12-4-2-3-5-15(12)17(16)19/h2-11H,19H2,1H3.
What are the key properties of (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone?
(1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 277.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminonaphthalen-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 67495113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).