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

C18H15NO — CID 67495002

IUPAC(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc3ccccc3c2N)cc1
InChIInChI=1S/C18H15NO/c1-12-6-8-14(9-7-12)18(20)16-11-10-13-4-2-3-5-15(13)17(16)19/h2-11H,19H2,1H3
InChIKeyCGUDQRVNHKUFNJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.96
Rot. Bonds2

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

(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone (PubChem CID 67495002) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
PubChem CID67495002
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc3ccccc3c2N)cc1
InChIInChI=1S/C18H15NO/c1-12-6-8-14(9-7-12)18(20)16-11-10-13-4-2-3-5-15(13)17(16)19/h2-11H,19H2,1H3
InChIKeyCGUDQRVNHKUFNJ-UHFFFAOYSA-N
XLogP3.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2-amino-3-methylphenyl)-(4-methylphenyl)methanone
CID 22285788
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]-(4-methylphenyl)methanone
CID 18720381
1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
CID 70563290
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
[1-[2-(4-bromobenzoyl)naphthalen-1-yl]naphthalen-2-yl]-(4-bromophenyl)methanone
CID 3948314
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid
CID 137447910

Frequently Asked Questions

What is the IUPAC name of (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone (CID 67495002) is (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc3ccccc3c2N)cc1.
What is the InChIKey of (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone?
The InChIKey is CGUDQRVNHKUFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-12-6-8-14(9-7-12)18(20)16-11-10-13-4-2-3-5-15(13)17(16)19/h2-11H,19H2,1H3.
What are the key properties of (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone?
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 67495002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).