N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline

C25H24N2 — CID 7053748

IUPACN,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline
SMILESCN(C)c1ccc([C@@H](/C=C2\C=Cc3ccccc3N2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2/c1-27(2)23-16-13-20(14-17-23)24(19-8-4-3-5-9-19)18-22-15-12-21-10-6-7-11-25(21)26-22/h3-18,24,26H,1-2H3/b22-18+/t24-/m0/s1
InChIKeyMIKIJJDATHBDEV-HCYCUYITSA-N
MW352.48 g/mol
LogP5.91
Rot. Bonds4

About N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline

N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline (PubChem CID 7053748) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline
PubChem CID7053748
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC NameN,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline
SMILESCN(C)c1ccc([C@@H](/C=C2\C=Cc3ccccc3N2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2/c1-27(2)23-16-13-20(14-17-23)24(19-8-4-3-5-9-19)18-22-15-12-21-10-6-7-11-25(21)26-22/h3-18,24,26H,1-2H3/b22-18+/t24-/m0/s1
InChIKeyMIKIJJDATHBDEV-HCYCUYITSA-N
XLogP5.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline
CID 7053751
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
CID 54292070
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
N,N-dimethylaniline
CID 70392672
2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile
CID 82140216
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-yl]-phenylmethyl]-N,N-dimethylaniline
CID 155228817
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
1-[[4-(dimethylamino)phenyl]-phenylmethyl]cyclohexan-1-ol
CID 3718720
4-[(2-ethenylphenyl)-phenylmethyl]-N,N-dimethylaniline
CID 150187096

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline (CID 7053748) is N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline is CN(C)c1ccc([C@@H](/C=C2\C=Cc3ccccc3N2)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline?
The InChIKey is MIKIJJDATHBDEV-HCYCUYITSA-N. The full InChI is InChI=1S/C25H24N2/c1-27(2)23-16-13-20(14-17-23)24(19-8-4-3-5-9-19)18-22-15-12-21-10-6-7-11-25(21)26-22/h3-18,24,26H,1-2H3/b22-18+/t24-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline?
N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline has a molecular weight of 352.48 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline is sourced from PubChem (CID 7053748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).