1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride

C15H14ClNO — CID 71348543

IUPAC1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
SMILESCl.Nc1ccc(C(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C15H13NO.ClH/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12;/h1-11H,16H2;1H
InChIKeyIWRPDXOJRIMYOZ-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.59
Rot. Bonds3

About 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride

1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride (PubChem CID 71348543) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
PubChem CID71348543
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
SMILESCl.Nc1ccc(C(=O)C=Cc2ccccc2)cc1
InChIInChI=1S/C15H13NO.ClH/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12;/h1-11H,16H2;1H
InChIKeyIWRPDXOJRIMYOZ-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
4-(3-oxo-3-phenylprop-1-enyl)benzoic acid;hydrochloride
CID 70593745
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 53405756
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-1-(4-tert-butylphenyl)-3-phenylprop-2-en-1-one
CID 6156309
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
1-[4-(hydroxymethyl)phenyl]-3-phenylprop-2-en-1-one
CID 123882719
(E)-3-phenyl-1-pyridin-4-ylprop-2-en-1-one
CID 5355548
1,3-diphenylprop-2-en-1-one;1-phenylethanone
CID 174503115

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride (CID 71348543) is 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride is Cl.Nc1ccc(C(=O)C=Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride?
The InChIKey is IWRPDXOJRIMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO.ClH/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12;/h1-11H,16H2;1H.
What are the key properties of 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride?
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride has a molecular weight of 259.74 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride is sourced from PubChem (CID 71348543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).