2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine

C33H42N2O2 — CID 172640286

IUPAC2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C(=C(c2ccccc2)C2CCCC2)c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C33H42N2O2/c1-34(2)22-24-36-30-18-14-28(15-19-30)33(29-16-20-31(21-17-29)37-25-23-35(3)4)32(27-12-8-9-13-27)26-10-6-5-7-11-26/h5-7,10-11,14-21,27H,8-9,12-13,22-25H2,1-4H3
InChIKeyYJVMRPXHXZICOV-UHFFFAOYSA-N
MW498.71 g/mol
LogP6.72
Rot. Bonds12

About 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine

2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 172640286) has the molecular formula C33H42N2O2 and a molecular weight of 498.71 g/mol. Its IUPAC name is 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine
PubChem CID172640286
Molecular FormulaC33H42N2O2
Molecular Weight498.71 g/mol
Exact Mass498.32
IUPAC Name2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(C(=C(c2ccccc2)C2CCCC2)c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C33H42N2O2/c1-34(2)22-24-36-30-18-14-28(15-19-30)33(29-16-20-31(21-17-29)37-25-23-35(3)4)32(27-12-8-9-13-27)26-10-6-5-7-11-26/h5-7,10-11,14-21,27H,8-9,12-13,22-25H2,1-4H3
InChIKeyYJVMRPXHXZICOV-UHFFFAOYSA-N
XLogP6.72
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(cyclopentane);4-[(Z)-2-cyclopentyl-1-[4-[3-(dimethylamino)propoxy]phenyl]but-1-enyl]phenol;4-[2-cyclopentyl-1-(4-hydroxyphenyl)but-1-enyl]phenol;4-[(Z)-2-cyclopentyl-1-phenylbut-1-enyl]phenol;iron
CID 162284270
(E,2S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-en-2-ol
CID 24834606
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
2-[4-[(E)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 6536897
2-[4-[(Z)-4-bromo-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 13424658
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296
N,N-dimethyl-2-[4-[(Z)-1-[4-(oxiran-2-yl)phenyl]-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 14509093
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
(Z)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylprop-2-en-1-ol
CID 57407502
N-[(Z)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-3-enyl]acetamide
CID 145014258
(1-cyclopropyl-2,2-diphenylethenyl)benzene
CID 11483343
N,N-dimethyl-2-[4-[(Z)-2-phenyl-1-[4-(1,2,3,4-tetrahydronaphthalen-2-ylmethoxy)phenyl]but-1-enyl]phenoxy]ethanamine
CID 10816090

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine (CID 172640286) is 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(C(=C(c2ccccc2)C2CCCC2)c2ccc(OCCN(C)C)cc2)cc1.
What is the InChIKey of 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is YJVMRPXHXZICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N2O2/c1-34(2)22-24-36-30-18-14-28(15-19-30)33(29-16-20-31(21-17-29)37-25-23-35(3)4)32(27-12-8-9-13-27)26-10-6-5-7-11-26/h5-7,10-11,14-21,27H,8-9,12-13,22-25H2,1-4H3.
What are the key properties of 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine?
2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 498.71 g/mol, XLogP of 6.72, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-cyclopentyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylethenyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 172640286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).