1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one

C21H21NO — CID 132506765

IUPAC1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1c(-c2ccccc2)cc2ccccc2c1N
InChIInChI=1S/C21H21NO/c1-2-3-13-19(23)20-18(15-9-5-4-6-10-15)14-16-11-7-8-12-17(16)21(20)22/h4-12,14H,2-3,13,22H2,1H3
InChIKeySRECVBGFTOKYSS-UHFFFAOYSA-N
MW303.40 g/mol
LogP5.46
Rot. Bonds5

About 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one

1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one (PubChem CID 132506765) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one
PubChem CID132506765
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1c(-c2ccccc2)cc2ccccc2c1N
InChIInChI=1S/C21H21NO/c1-2-3-13-19(23)20-18(15-9-5-4-6-10-15)14-16-11-7-8-12-17(16)21(20)22/h4-12,14H,2-3,13,22H2,1H3
InChIKeySRECVBGFTOKYSS-UHFFFAOYSA-N
XLogP5.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one?
The IUPAC name of 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one (CID 132506765) is 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one is CCCCC(=O)c1c(-c2ccccc2)cc2ccccc2c1N.
What is the InChIKey of 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one?
The InChIKey is SRECVBGFTOKYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-2-3-13-19(23)20-18(15-9-5-4-6-10-15)14-16-11-7-8-12-17(16)21(20)22/h4-12,14H,2-3,13,22H2,1H3.
What are the key properties of 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one?
1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one has a molecular weight of 303.40 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-phenylnaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 132506765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).