2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine

C34H46N2O2 — CID 24967269

IUPAC2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine
SMILESC=CC(c1ccccc1)C(c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C34H46N2O2/c1-6-33(28-14-12-11-13-15-28)34(29-16-20-31(21-17-29)37-26-24-35(7-2)8-3)30-18-22-32(23-19-30)38-27-25-36(9-4)10-5/h6,11-23,33-34H,1,7-10,24-27H2,2-5H3
InChIKeyIHMQAJKYZVGFRY-UHFFFAOYSA-N
MW514.75 g/mol
LogP7.23
Rot. Bonds17

About 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine

2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine (PubChem CID 24967269) has the molecular formula C34H46N2O2 and a molecular weight of 514.75 g/mol. Its IUPAC name is 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine
PubChem CID24967269
Molecular FormulaC34H46N2O2
Molecular Weight514.75 g/mol
Exact Mass514.36
IUPAC Name2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine
SMILESC=CC(c1ccccc1)C(c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1
InChIInChI=1S/C34H46N2O2/c1-6-33(28-14-12-11-13-15-28)34(29-16-20-31(21-17-29)37-26-24-35(7-2)8-3)30-18-22-32(23-19-30)38-27-25-36(9-4)10-5/h6,11-23,33-34H,1,7-10,24-27H2,2-5H3
InChIKeyIHMQAJKYZVGFRY-UHFFFAOYSA-N
XLogP7.23
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.75
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenol
CID 11531171
3-[(1R,2R)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenol
CID 101392610
1-[2-[4-[2-phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]but-3-enyl]phenoxy]ethyl]piperidine
CID 24967267
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
CID 143961107
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
CID 175517595
[4-[2-(diethylamino)ethoxy]-2-ethylphenyl]-phenylmethanol
CID 150907151
1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
CID 66822143
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
(2R)-2-[[4-[2-(diethylamino)ethoxy]benzoyl]amino]-2-phenylacetic acid
CID 119367704
1-ethoxy-4-(1-phenylprop-2-enyl)benzene
CID 57277088
N-[2-(4-butan-2-ylphenoxy)ethyl]-N-prop-2-enylprop-2-en-1-amine
CID 2943852
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine (CID 24967269) is 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine is C=CC(c1ccccc1)C(c1ccc(OCCN(CC)CC)cc1)c1ccc(OCCN(CC)CC)cc1.
What is the InChIKey of 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine?
The InChIKey is IHMQAJKYZVGFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2O2/c1-6-33(28-14-12-11-13-15-28)34(29-16-20-31(21-17-29)37-26-24-35(7-2)8-3)30-18-22-32(23-19-30)38-27-25-36(9-4)10-5/h6,11-23,33-34H,1,7-10,24-27H2,2-5H3.
What are the key properties of 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine?
2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine has a molecular weight of 514.75 g/mol, XLogP of 7.23, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-3-enyl]phenoxy]-N,N-diethylethanamine is sourced from PubChem (CID 24967269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).