(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one

C16H15NO — CID 116605809

IUPAC(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C16H15NO/c1-12-4-2-3-5-15(12)16(18)11-8-13-6-9-14(17)10-7-13/h2-11H,17H2,1H3/b11-8+
InChIKeyXCVJUFOYDPSSMC-DHZHZOJOSA-N
MW237.30 g/mol
LogP3.47
Rot. Bonds3

About (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one

(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one (PubChem CID 116605809) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one
PubChem CID116605809
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C(=O)/C=C/c1ccc(N)cc1
InChIInChI=1S/C16H15NO/c1-12-4-2-3-5-15(12)16(18)11-8-13-6-9-14(17)10-7-13/h2-11H,17H2,1H3/b11-8+
InChIKeyXCVJUFOYDPSSMC-DHZHZOJOSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.47
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-(4-bromophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359486
3-(4-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 582919
(E)-3-(4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359470
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
(E)-3-(4-aminophenyl)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 116605786
(E)-3-(4-hydroxy-3-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9448318
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
(E)-3-(3-chlorophenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 75359479
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
(E)-1-(2-methylphenyl)-3-(2,4,5-trimethylphenyl)prop-2-en-1-one
CID 18292568
(E)-1-(2-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-en-1-one
CID 9448324
(E)-3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 9033187

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one (CID 116605809) is (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one is Cc1ccccc1C(=O)/C=C/c1ccc(N)cc1.
What is the InChIKey of (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is XCVJUFOYDPSSMC-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-4-2-3-5-15(12)16(18)11-8-13-6-9-14(17)10-7-13/h2-11H,17H2,1H3/b11-8+.
What are the key properties of (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one?
(E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-aminophenyl)-1-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 116605809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).