1-(2-amino-5-phenylphenyl)pentan-1-one

C17H19NO — CID 83988023

IUPAC1-(2-amino-5-phenylphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C17H19NO/c1-2-3-9-17(19)15-12-14(10-11-16(15)18)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9,18H2,1H3
InChIKeyLFMFHBDWYMOGAK-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.31
Rot. Bonds5

About 1-(2-amino-5-phenylphenyl)pentan-1-one

1-(2-amino-5-phenylphenyl)pentan-1-one (PubChem CID 83988023) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2-amino-5-phenylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(2-amino-5-phenylphenyl)pentan-1-one
PubChem CID83988023
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(2-amino-5-phenylphenyl)pentan-1-one
SMILESCCCCC(=O)c1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C17H19NO/c1-2-3-9-17(19)15-12-14(10-11-16(15)18)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9,18H2,1H3
InChIKeyLFMFHBDWYMOGAK-UHFFFAOYSA-N
XLogP4.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-pentanoylphenyl)pentan-1-one
CID 101270148
1-(2-bromo-5-phenylphenyl)butan-1-one
CID 83988643
1-(4-phenyl-2-sulfanylphenyl)octan-1-one
CID 68572474
1-(2-amino-5-ethoxyphenyl)pentan-1-one
CID 83987894
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1-(2-aminophenyl)octan-1-one
CID 64829239
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one
CID 143240107
1-[2-amino-5-(trifluoromethoxy)phenyl]pentan-1-one
CID 83988078
2-butyl-4-phenylaniline
CID 24835781
2-amino-5-phenylbenzoic acid;methyl 2-amino-5-phenylbenzoate
CID 159000318
1,1'-biphenyl;heptadecan-9-one
CID 19613965

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-phenylphenyl)pentan-1-one?
The IUPAC name of 1-(2-amino-5-phenylphenyl)pentan-1-one (CID 83988023) is 1-(2-amino-5-phenylphenyl)pentan-1-one.
What is the SMILES notation for 1-(2-amino-5-phenylphenyl)pentan-1-one?
The canonical SMILES for 1-(2-amino-5-phenylphenyl)pentan-1-one is CCCCC(=O)c1cc(-c2ccccc2)ccc1N.
What is the InChIKey of 1-(2-amino-5-phenylphenyl)pentan-1-one?
The InChIKey is LFMFHBDWYMOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-3-9-17(19)15-12-14(10-11-16(15)18)13-7-5-4-6-8-13/h4-8,10-12H,2-3,9,18H2,1H3.
What are the key properties of 1-(2-amino-5-phenylphenyl)pentan-1-one?
1-(2-amino-5-phenylphenyl)pentan-1-one has a molecular weight of 253.35 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-phenylphenyl)pentan-1-one is sourced from PubChem (CID 83988023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).