1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one

C19H23NO — CID 143240107

IUPAC1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(CCc2ccccc2)cc1N
InChIInChI=1S/C19H23NO/c1-2-3-9-19(21)17-13-12-16(14-18(17)20)11-10-15-7-5-4-6-8-15/h4-8,12-14H,2-3,9-11,20H2,1H3
InChIKeyXXKZEQDTPZFMDO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.43
Rot. Bonds7

About 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one

1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one (PubChem CID 143240107) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one
PubChem CID143240107
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(CCc2ccccc2)cc1N
InChIInChI=1S/C19H23NO/c1-2-3-9-19(21)17-13-12-16(14-18(17)20)11-10-15-7-5-4-6-8-15/h4-8,12-14H,2-3,9-11,20H2,1H3
InChIKeyXXKZEQDTPZFMDO-UHFFFAOYSA-N
XLogP4.43
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.43
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-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one?
The IUPAC name of 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one (CID 143240107) is 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one is CCCCC(=O)c1ccc(CCc2ccccc2)cc1N.
What is the InChIKey of 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one?
The InChIKey is XXKZEQDTPZFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-3-9-19(21)17-13-12-16(14-18(17)20)11-10-15-7-5-4-6-8-15/h4-8,12-14H,2-3,9-11,20H2,1H3.
What are the key properties of 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one?
1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2-phenylethyl)phenyl]pentan-1-one is sourced from PubChem (CID 143240107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).