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

C16H15NO — CID 53405740

IUPAC1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C=CC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H15NO/c1-12-4-2-3-5-13(12)8-11-16(18)14-6-9-15(17)10-7-14/h2-11H,17H2,1H3
InChIKeyDZXTWWKDDAWCNR-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.47
Rot. Bonds3

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

1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one (PubChem CID 53405740) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one
PubChem CID53405740
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one
SMILESCc1ccccc1C=CC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H15NO/c1-12-4-2-3-5-13(12)8-11-16(18)14-6-9-15(17)10-7-14/h2-11H,17H2,1H3
InChIKeyDZXTWWKDDAWCNR-UHFFFAOYSA-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-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
(E)-3-(2-methylphenyl)-1-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 19557241
(E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 6244990
1-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-en-1-one
CID 5240637
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
(E)-1,3-bis(2-methylphenyl)prop-2-en-1-one;ethane
CID 91348083
1-[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]phenyl]-3-propan-2-ylurea
CID 43071488
1-[4-[3-(dimethylamino)propyl]phenyl]-3-(2-methylphenyl)prop-2-en-1-one
CID 54292317
(E)-1-(4-aminophenyl)-3-(2,4-dimethoxy-5-methylphenyl)prop-2-en-1-one
CID 18179134
4-[(E)-3-(2-methylphenyl)prop-2-enoyl]-N-propylbenzenesulfonamide
CID 25466152
4-[(Z)-2-(2-methylphenyl)ethenyl]aniline
CID 58868755
(E)-1-(4-aminophenyl)-3-[5-methyl-2,4-di(propan-2-yloxy)phenyl]prop-2-en-1-one
CID 18178705

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one (CID 53405740) is 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one is Cc1ccccc1C=CC(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
The InChIKey is DZXTWWKDDAWCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-4-2-3-5-13(12)8-11-16(18)14-6-9-15(17)10-7-14/h2-11H,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one?
1-(4-aminophenyl)-3-(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 1-(4-aminophenyl)-3-(2-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 53405740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).