[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone

C22H21N3O — CID 139072228

IUPAC[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone
SMILESCN(C)c1ccc(/C=N/c2cc(C(=O)c3ccccc3)ccc2N)cc1
InChIInChI=1S/C22H21N3O/c1-25(2)19-11-8-16(9-12-19)15-24-21-14-18(10-13-20(21)23)22(26)17-6-4-3-5-7-17/h3-15H,23H2,1-2H3/b24-15+
InChIKeyUTNWQESSTAMHLS-BUVRLJJBSA-N
MW343.43 g/mol
LogP4.32
Rot. Bonds5

About [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone

[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone (PubChem CID 139072228) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone
PubChem CID139072228
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone
SMILESCN(C)c1ccc(/C=N/c2cc(C(=O)c3ccccc3)ccc2N)cc1
InChIInChI=1S/C22H21N3O/c1-25(2)19-11-8-16(9-12-19)15-24-21-14-18(10-13-20(21)23)22(26)17-6-4-3-5-7-17/h3-15H,23H2,1-2H3/b24-15+
InChIKeyUTNWQESSTAMHLS-BUVRLJJBSA-N
XLogP4.32
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
1-[3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]ethanone
CID 831103
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
2-[(2-amino-4-benzoylphenyl)iminomethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 170908194
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
[3,4-bis[(2-hydroxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 135968952
4-[[8-[[4-(dimethylamino)phenyl]methylideneamino]naphthalen-1-yl]iminomethyl]-N,N-dimethylaniline
CID 172965274
2-amino-5-benzoylbenzaldehyde
CID 58625138
4-[2,2-bis[4-(dimethylamino)phenyl]-1-phenylethenyl]benzaldehyde
CID 102222128
N,N-dimethyl-4-[(2-methyl-1-phenylprop-1-enyl)iminomethyl]aniline
CID 102364701
phenyl-[3-[[4-(trifluoromethyl)phenyl]methylideneamino]phenyl]methanone
CID 46907578

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone?
The IUPAC name of [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone (CID 139072228) is [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone?
The canonical SMILES for [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone is CN(C)c1ccc(/C=N/c2cc(C(=O)c3ccccc3)ccc2N)cc1.
What is the InChIKey of [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone?
The InChIKey is UTNWQESSTAMHLS-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H21N3O/c1-25(2)19-11-8-16(9-12-19)15-24-21-14-18(10-13-20(21)23)22(26)17-6-4-3-5-7-17/h3-15H,23H2,1-2H3/b24-15+.
What are the key properties of [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone?
[4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone has a molecular weight of 343.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-[[4-(dimethylamino)phenyl]methylideneamino]phenyl]-phenylmethanone is sourced from PubChem (CID 139072228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).