N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline

C26H26N2 — CID 7053751

IUPACN,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline
SMILESCN(C)c1ccc([C@H](C=C2C=Cc3ccccc3N2C)c2ccccc2)cc1
InChIInChI=1S/C26H26N2/c1-27(2)23-16-13-21(14-17-23)25(20-9-5-4-6-10-20)19-24-18-15-22-11-7-8-12-26(22)28(24)3/h4-19,25H,1-3H3/t25-/m1/s1
InChIKeyDMFRMHILNMGLRN-RUZDIDTESA-N
MW366.51 g/mol
LogP5.93
Rot. Bonds4

About N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline

N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline (PubChem CID 7053751) has the molecular formula C26H26N2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline
PubChem CID7053751
Molecular FormulaC26H26N2
Molecular Weight366.51 g/mol
Exact Mass366.21
IUPAC NameN,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline
SMILESCN(C)c1ccc([C@H](C=C2C=Cc3ccccc3N2C)c2ccccc2)cc1
InChIInChI=1S/C26H26N2/c1-27(2)23-16-13-21(14-17-23)25(20-9-5-4-6-10-20)19-24-18-15-22-11-7-8-12-26(22)28(24)3/h4-19,25H,1-3H3/t25-/m1/s1
InChIKeyDMFRMHILNMGLRN-RUZDIDTESA-N
XLogP5.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.93
H-Bond Donors ≤ 50
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-[(1S,2E)-1-phenyl-2-(1H-quinolin-2-ylidene)ethyl]aniline
CID 7053748
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
2-[4-(dimethylamino)phenyl]-3-phenylbutanenitrile
CID 82140216
2,2-bis[4-(dimethylamino)phenyl]acetaldehyde
CID 54292070
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235
N,N-dimethylaniline
CID 70392672
4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline
CID 4269444
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
N,N-dimethyl-4-[(1-methylindol-3-yl)-phenylmethyl]aniline
CID 86230420
4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-yl]-phenylmethyl]-N,N-dimethylaniline
CID 155228817
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline (CID 7053751) is N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline is CN(C)c1ccc([C@H](C=C2C=Cc3ccccc3N2C)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline?
The InChIKey is DMFRMHILNMGLRN-RUZDIDTESA-N. The full InChI is InChI=1S/C26H26N2/c1-27(2)23-16-13-21(14-17-23)25(20-9-5-4-6-10-20)19-24-18-15-22-11-7-8-12-26(22)28(24)3/h4-19,25H,1-3H3/t25-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline?
N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline has a molecular weight of 366.51 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1R)-2-(1-methylquinolin-2-ylidene)-1-phenylethyl]aniline is sourced from PubChem (CID 7053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).