2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol

C22H24N2O2 — CID 111334298

IUPAC2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol
SMILESCC(O)(CNCc1ccc(OCc2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-22(25,20-5-3-2-4-6-20)17-24-15-18-7-9-21(10-8-18)26-16-19-11-13-23-14-12-19/h2-14,24-25H,15-17H2,1H3
InChIKeyKQWUJYBZDBXCSN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.66
Rot. Bonds8

About 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol

2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol (PubChem CID 111334298) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol
PubChem CID111334298
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol
SMILESCC(O)(CNCc1ccc(OCc2ccncc2)cc1)c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-22(25,20-5-3-2-4-6-20)17-24-15-18-7-9-21(10-8-18)26-16-19-11-13-23-14-12-19/h2-14,24-25H,15-17H2,1H3
InChIKeyKQWUJYBZDBXCSN-UHFFFAOYSA-N
XLogP3.66
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)methylamino]-2-phenylpropan-2-ol
CID 111121689
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
tert-butyl 2-[(4-phenylmethoxyphenyl)methylamino]acetate
CID 54470705
2-[(4-phenylmethoxyphenyl)methylamino]ethanol
CID 2200287
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 104643853
tert-butyl N-[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-(pyridin-4-ylmethylamino)propan-2-yl]carbamate
CID 70068071
1-(4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 17294585
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
3-(4-phenylmethoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023893
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]methanamine
CID 78871470

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol (CID 111334298) is 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol is CC(O)(CNCc1ccc(OCc2ccncc2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is KQWUJYBZDBXCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-22(25,20-5-3-2-4-6-20)17-24-15-18-7-9-21(10-8-18)26-16-19-11-13-23-14-12-19/h2-14,24-25H,15-17H2,1H3.
What are the key properties of 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol?
2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol has a molecular weight of 348.45 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 111334298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).