3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol

C26H31NO2 — CID 123134411

IUPAC3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
SMILESCCC(c1ccccc1)C(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1
InChIInChI=1S/C26H31NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,25-26,28H,4,17-18H2,1-3H3
InChIKeyQAYFBVRNOWKIHB-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.66
Rot. Bonds9

About 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol

3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol (PubChem CID 123134411) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol.

Molecular Properties

Compound Name3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
PubChem CID123134411
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol
SMILESCCC(c1ccccc1)C(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1
InChIInChI=1S/C26H31NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,25-26,28H,4,17-18H2,1-3H3
InChIKeyQAYFBVRNOWKIHB-UHFFFAOYSA-N
XLogP5.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
2-[4-[1-(4-chlorophenyl)-2-phenylbutyl]phenoxy]-N,N-dimethylethanamine
CID 70013344
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylbut-2-enyl]phenol
CID 67671283
2-[4-(1,3-diphenylpentan-2-yl)phenoxy]-N,N-dimethylethanamine
CID 143961238
bis(3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol);hydrochloride
CID 174812460
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,4-diphenylbut-2-en-1-ol
CID 123847593
N,N-dimethyl-2-[4-(1-phenylprop-2-enyl)phenoxy]ethanamine
CID 143961107
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
[(2S)-1,1-diphenylbutan-2-yl]benzene
CID 101326862
1-chloro-4-[1-(4-ethoxyphenyl)-2-phenylbutyl]benzene
CID 18518445

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol?
The IUPAC name of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol (CID 123134411) is 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol.
What is the SMILES notation for 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol?
The canonical SMILES for 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol is CCC(c1ccccc1)C(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1.
What is the InChIKey of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol?
The InChIKey is QAYFBVRNOWKIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3/h5-16,19,25-26,28H,4,17-18H2,1-3H3.
What are the key properties of 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol?
3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol has a molecular weight of 389.54 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbutyl]phenol is sourced from PubChem (CID 123134411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).