(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate

C16H15NO2 — CID 149241121

IUPAC(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
SMILESCc1ccc(OC(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12-2-9-15(10-3-12)19-16(18)11-6-13-4-7-14(17)8-5-13/h2-11H,17H2,1H3/b11-6+
InChIKeyXMEYCOREOQPMPK-IZZDOVSWSA-N
MW253.30 g/mol
LogP3.20
Rot. Bonds3

About (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate

(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate (PubChem CID 149241121) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
PubChem CID149241121
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate
SMILESCc1ccc(OC(=O)/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12-2-9-15(10-3-12)19-16(18)11-6-13-4-7-14(17)8-5-13/h2-11H,17H2,1H3/b11-6+
InChIKeyXMEYCOREOQPMPK-IZZDOVSWSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
(4-aminophenyl) (E)-3-(4-acetyloxyphenyl)prop-2-enoate
CID 146213732
(4-aminophenyl) (E)-3-[4-[4-[(E)-3-(4-aminophenoxy)-3-oxoprop-1-enyl]benzoyl]phenyl]prop-2-enoate
CID 90399468
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
CID 58870921
(4-aminophenyl) (E)-3-[4-(aminomethyl)phenyl]prop-2-enoate
CID 174578586
(E)-N,3-bis(4-methylphenyl)prop-2-enamide;(4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 158955701
bis((E)-1,3-bis(4-methylphenyl)prop-2-en-1-one);ethane;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;bis(1-methyl-4-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]benzene);(E)-3-(4-methylphenyl)-1-[4-(4-methylphenyl)phenyl]prop-2-en-1-one;bis((4-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate)
CID 158344042
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 3-phenylprop-2-enoate
CID 4105954
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
CID 142377095

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate?
The IUPAC name of (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate (CID 149241121) is (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate.
What is the SMILES notation for (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate?
The canonical SMILES for (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate is Cc1ccc(OC(=O)/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate?
The InChIKey is XMEYCOREOQPMPK-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-2-9-15(10-3-12)19-16(18)11-6-13-4-7-14(17)8-5-13/h2-11H,17H2,1H3/b11-6+.
What are the key properties of (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate?
(4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate has a molecular weight of 253.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) (E)-3-(4-aminophenyl)prop-2-enoate is sourced from PubChem (CID 149241121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).