(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one

C18H20N2O — CID 54579039

IUPAC(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCc1ccc(/C(=C/C(=O)c2ccccc2)NCCN)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)17(20-12-11-19)13-18(21)16-5-3-2-4-6-16/h2-10,13,20H,11-12,19H2,1H3/b17-13-
InChIKeyOYQOADXTJRDCEN-LGMDPLHJSA-N
MW280.37 g/mol
LogP2.77
Rot. Bonds6

About (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one

(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 54579039) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
PubChem CID54579039
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCc1ccc(/C(=C/C(=O)c2ccccc2)NCCN)cc1
InChIInChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)17(20-12-11-19)13-18(21)16-5-3-2-4-6-16/h2-10,13,20H,11-12,19H2,1H3/b17-13-
InChIKeyOYQOADXTJRDCEN-LGMDPLHJSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-anilino-1-(4-methylphenyl)-3-phenylprop-2-en-1-one
CID 22305442
2-aminoethylcarbamic acid;toluene
CID 70566419
(E)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 21160961
2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid
CID 102299581
(Z)-3-amino-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 5376861
(Z)-3-(2-aminoethylamino)-3-(tert-butylamino)-1-phenylprop-2-en-1-one;dihydrochloride
CID 20521321
3-(4-methoxyanilino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one
CID 4672353
(Z)-3-anilino-3-phenyl-1-(4-phenylphenyl)prop-2-en-1-one
CID 51356633
N-(2-aminoethyl)benzamide;ethane
CID 143976252
(Z)-1,3-diphenyl-3-(3-phenylprop-2-ynylamino)prop-2-en-1-one
CID 146162492
(Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
CID 155819022
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one (CID 54579039) is (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is Cc1ccc(/C(=C/C(=O)c2ccccc2)NCCN)cc1.
What is the InChIKey of (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is OYQOADXTJRDCEN-LGMDPLHJSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-7-9-15(10-8-14)17(20-12-11-19)13-18(21)16-5-3-2-4-6-16/h2-10,13,20H,11-12,19H2,1H3/b17-13-.
What are the key properties of (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one?
(Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-aminoethylamino)-3-(4-methylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 54579039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).