(Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one

C23H22N2O — CID 155819022

IUPAC(Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCc1cccc(/C(=C/C(=O)c2ccccc2)NCc2ccc(N)cc2)c1
InChIInChI=1S/C23H22N2O/c1-17-6-5-9-20(14-17)22(15-23(26)19-7-3-2-4-8-19)25-16-18-10-12-21(24)13-11-18/h2-15,25H,16,24H2,1H3/b22-15-
InChIKeyTXRHXFGQXNUTEZ-JCMHNJIXSA-N
MW342.44 g/mol
LogP4.59
Rot. Bonds6

About (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one

(Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one (PubChem CID 155819022) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
PubChem CID155819022
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one
SMILESCc1cccc(/C(=C/C(=O)c2ccccc2)NCc2ccc(N)cc2)c1
InChIInChI=1S/C23H22N2O/c1-17-6-5-9-20(14-17)22(15-23(26)19-7-3-2-4-8-19)25-16-18-10-12-21(24)13-11-18/h2-15,25H,16,24H2,1H3/b22-15-
InChIKeyTXRHXFGQXNUTEZ-JCMHNJIXSA-N
XLogP4.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-methylbenzamide
CID 60891807
(Z)-3-[(4-aminophenyl)methylamino]-3-(1,3-benzodioxol-5-yl)-1-phenylprop-2-en-1-one
CID 155819078
4-[(Z)-3-[(4-aminophenyl)methylamino]-3-phenylprop-2-enoyl]benzonitrile
CID 155819053
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 107231351
ethyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 101404500
N-[(4-aminophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110483777
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
N-benzyl-2,2-dimethyl-N'-[(3-methylphenyl)methyl]propanediamide
CID 108961493
2-[[(Z)-3-oxo-1,3-diphenylprop-1-enyl]amino]acetic acid
CID 102299581
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylphenyl)acetamide
CID 62539487
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one?
The IUPAC name of (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one (CID 155819022) is (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one is Cc1cccc(/C(=C/C(=O)c2ccccc2)NCc2ccc(N)cc2)c1.
What is the InChIKey of (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one?
The InChIKey is TXRHXFGQXNUTEZ-JCMHNJIXSA-N. The full InChI is InChI=1S/C23H22N2O/c1-17-6-5-9-20(14-17)22(15-23(26)19-7-3-2-4-8-19)25-16-18-10-12-21(24)13-11-18/h2-15,25H,16,24H2,1H3/b22-15-.
What are the key properties of (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one?
(Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one has a molecular weight of 342.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(4-aminophenyl)methylamino]-3-(3-methylphenyl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 155819022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).