2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol

C27H33NO3 — CID 21128725

IUPAC2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol
SMILESCCN(CC)CCOc1ccc(CC(O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-15-11-22(12-16-26)21-27(29,23-9-7-6-8-10-23)24-13-17-25(30-3)18-14-24/h6-18,29H,4-5,19-21H2,1-3H3
InChIKeyKBHWKENESQQXIY-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.89
Rot. Bonds11

About 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol

2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol (PubChem CID 21128725) has the molecular formula C27H33NO3 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol
PubChem CID21128725
Molecular FormulaC27H33NO3
Molecular Weight419.57 g/mol
Exact Mass419.25
IUPAC Name2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol
SMILESCCN(CC)CCOc1ccc(CC(O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-15-11-22(12-16-26)21-27(29,23-9-7-6-8-10-23)24-13-17-25(30-3)18-14-24/h6-18,29H,4-5,19-21H2,1-3H3
InChIKeyKBHWKENESQQXIY-UHFFFAOYSA-N
XLogP4.89
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 134112226
1-cyclohepta-1,3-dien-1-yl-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylethanol
CID 123292975
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-(4-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methylphenyl)ethanol
CID 69460593
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
3-[4-[2-(diethylamino)ethoxy]phenyl]pentan-3-amine
CID 138678165
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
1-[4-[2-(diethylamino)ethoxy]phenyl]-2-(4-phenylphenyl)ethanol
CID 175517595
2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
CID 24834681
N,N-diethyl-2-[4-[(Z)-1-(4-methoxyphenyl)-3,3-dimethyl-2-phenylbut-1-enyl]phenoxy]ethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 117067905
2-[4-[(Z)-1,2-diphenylprop-1-enyl]phenoxy]-N,N-diethylethanamine
CID 145071342
2-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111052985
N,N-diethyl-2-[4-[(E)-1-(4-methoxyphenyl)prop-1-en-2-yl]phenoxy]ethanamine
CID 6913690

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol?
The IUPAC name of 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol (CID 21128725) is 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol.
What is the SMILES notation for 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol?
The canonical SMILES for 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol is CCN(CC)CCOc1ccc(CC(O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol?
The InChIKey is KBHWKENESQQXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3/c1-4-28(5-2)19-20-31-26-15-11-22(12-16-26)21-27(29,23-9-7-6-8-10-23)24-13-17-25(30-3)18-14-24/h6-18,29H,4-5,19-21H2,1-3H3.
What are the key properties of 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol?
2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol has a molecular weight of 419.57 g/mol, XLogP of 4.89, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol is sourced from PubChem (CID 21128725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).