1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol

C31H34N2O2 — CID 21121921

IUPAC1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol
SMILESCCN(CC)C(C)Oc1ccc(C(O)(c2ccccc2)C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C31H34N2O2/c1-4-33(5-2)24(3)35-29-18-16-28(17-19-29)31(34,27-14-10-7-11-15-27)30(25-12-8-6-9-13-25)26-20-22-32-23-21-26/h6-24,30,34H,4-5H2,1-3H3
InChIKeyZIPLGTFNTCXXSB-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.22
Rot. Bonds10

About 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol

1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol (PubChem CID 21121921) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol
PubChem CID21121921
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol
SMILESCCN(CC)C(C)Oc1ccc(C(O)(c2ccccc2)C(c2ccccc2)c2ccncc2)cc1
InChIInChI=1S/C31H34N2O2/c1-4-33(5-2)24(3)35-29-18-16-28(17-19-29)31(34,27-14-10-7-11-15-27)30(25-12-8-6-9-13-25)26-20-22-32-23-21-26/h6-24,30,34H,4-5H2,1-3H3
InChIKeyZIPLGTFNTCXXSB-UHFFFAOYSA-N
XLogP6.22
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(E)-1,2-diphenyl-2-pyridin-2-ylethenyl]phenoxy]-N,N-diethylethanamine
CID 21151196
1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol
CID 139881330
1-(diethylamino)ethyl 2,2-diphenylacetate
CID 23615531
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
4-(3-phenoxybutan-2-yl)pyridine
CID 91015504
1-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylbutan-1-ol
CID 20558061
N-ethyl-N-[1-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethyl]aniline
CID 70632889
1-[ethyl(propan-2-yl)amino]-2-phenylpropan-2-ol
CID 62374985
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
CID 139051359
(1S,2R)-1-(4-fluorophenyl)-1,2-diphenylbutan-1-ol
CID 139051380
3-hydroxy-2-methyl-3-phenyl-3-(4-propoxyphenyl)propanenitrile
CID 154155792
2-amino-1,1-bis(4-methoxyphenyl)-2-phenylethanol
CID 18373848

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol?
The IUPAC name of 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol (CID 21121921) is 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol.
What is the SMILES notation for 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol?
The canonical SMILES for 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol is CCN(CC)C(C)Oc1ccc(C(O)(c2ccccc2)C(c2ccccc2)c2ccncc2)cc1.
What is the InChIKey of 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol?
The InChIKey is ZIPLGTFNTCXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-4-33(5-2)24(3)35-29-18-16-28(17-19-29)31(34,27-14-10-7-11-15-27)30(25-12-8-6-9-13-25)26-20-22-32-23-21-26/h6-24,30,34H,4-5H2,1-3H3.
What are the key properties of 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol?
1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol has a molecular weight of 466.63 g/mol, XLogP of 6.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(diethylamino)ethoxy]phenyl]-1,2-diphenyl-2-pyridin-4-ylethanol is sourced from PubChem (CID 21121921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).