N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline

C25H30N2O2 — CID 71765317

IUPACN,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline
SMILESCN1CCCC(COc2ccc3cc(/C=C/c4ccc(N(C)C)cc4)oc3c2)C1
InChIInChI=1S/C25H30N2O2/c1-26(2)22-10-6-19(7-11-22)8-12-24-15-21-9-13-23(16-25(21)29-24)28-18-20-5-4-14-27(3)17-20/h6-13,15-16,20H,4-5,14,17-18H2,1-3H3/b12-8+
InChIKeyKXQGDFHYDZNJTP-XYOKQWHBSA-N
MW390.53 g/mol
LogP5.39
Rot. Bonds6

About N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline

N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline (PubChem CID 71765317) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline
PubChem CID71765317
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline
SMILESCN1CCCC(COc2ccc3cc(/C=C/c4ccc(N(C)C)cc4)oc3c2)C1
InChIInChI=1S/C25H30N2O2/c1-26(2)22-10-6-19(7-11-22)8-12-24-15-21-9-13-23(16-25(21)29-24)28-18-20-5-4-14-27(3)17-20/h6-13,15-16,20H,4-5,14,17-18H2,1-3H3/b12-8+
InChIKeyKXQGDFHYDZNJTP-XYOKQWHBSA-N
XLogP5.39
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[2-[6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline
CID 123671128
1-methyl-3-[[4-[(E)-2-phenylethenyl]phenoxy]methyl]piperidine
CID 134126084
N,N-dimethyl-4-[2-[6-(3-pyridin-4-ylpropoxy)-1-benzofuran-2-yl]ethenyl]aniline
CID 123382933
4-[[(3R)-1-methylpiperidin-3-yl]methoxy]phenol
CID 165429310
N-hydroxy-N'-[4-[(1-methylpiperidin-3-yl)methoxy]phenyl]methanimidamide
CID 20763511
(3S)-3-[(3-iodophenoxy)methyl]-1-methylpiperidine
CID 165429240
4-[(E)-2-[5-[(2,2-dimethyloxan-4-yl)methoxy]-1-benzofuran-2-yl]ethenyl]-N-methylaniline
CID 44546960
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
4-(cyclopropylmethoxy)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 136526082
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
2,3-dihydro-1,4-benzodioxine;(3S)-1-methyl-3-[[4-(trifluoromethyl)phenoxy]methyl]piperidine;trifluoromethylbenzene
CID 142125090

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline (CID 71765317) is N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline is CN1CCCC(COc2ccc3cc(/C=C/c4ccc(N(C)C)cc4)oc3c2)C1.
What is the InChIKey of N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline?
The InChIKey is KXQGDFHYDZNJTP-XYOKQWHBSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-26(2)22-10-6-19(7-11-22)8-12-24-15-21-9-13-23(16-25(21)29-24)28-18-20-5-4-14-27(3)17-20/h6-13,15-16,20H,4-5,14,17-18H2,1-3H3/b12-8+.
What are the key properties of N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline?
N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline has a molecular weight of 390.53 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(E)-2-[6-[(1-methylpiperidin-3-yl)methoxy]-1-benzofuran-2-yl]ethenyl]aniline is sourced from PubChem (CID 71765317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).