4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol

C21H29NO2 — CID 134112226

IUPAC4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
SMILESCCN(CC)CCC(O)(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C21H29NO2/c1-4-22(5-2)16-15-21(23,17-18-9-7-6-8-10-18)19-11-13-20(24-3)14-12-19/h6-14,23H,4-5,15-17H2,1-3H3
InChIKeyZVZNKRXACBATNP-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.86
Rot. Bonds9

About 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol

4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol (PubChem CID 134112226) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
PubChem CID134112226
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
SMILESCCN(CC)CCC(O)(Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C21H29NO2/c1-4-22(5-2)16-15-21(23,17-18-9-7-6-8-10-18)19-11-13-20(24-3)14-12-19/h6-14,23H,4-5,15-17H2,1-3H3
InChIKeyZVZNKRXACBATNP-UHFFFAOYSA-N
XLogP3.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-[4-[2-(diethylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)-1-phenylethanol
CID 21128725
1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
CID 3242685
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
CID 60994370
(2S)-2-(4-methoxyphenyl)-1-pyridin-4-ylbutan-2-ol
CID 125493756
1,2-diphenylheptan-2-ol
CID 139785734
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
3-[2-[benzyl(methyl)amino]ethyl-methylamino]-1-(4-methoxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 70515875
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
2-(diethylamino)ethyl 2-benzyl-3-(4-methoxyphenyl)propanoate
CID 24834681
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
CID 61048016

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
The IUPAC name of 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol (CID 134112226) is 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol.
What is the SMILES notation for 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
The canonical SMILES for 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol is CCN(CC)CCC(O)(Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
The InChIKey is ZVZNKRXACBATNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-22(5-2)16-15-21(23,17-18-9-7-6-8-10-18)19-11-13-20(24-3)14-12-19/h6-14,23H,4-5,15-17H2,1-3H3.
What are the key properties of 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol?
4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol has a molecular weight of 327.47 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol is sourced from PubChem (CID 134112226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).