2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol

C21H22N2O2 — CID 110010842

IUPAC2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C21H22N2O2/c24-14-15-25-20-9-5-4-8-19(20)16-23-21(17-6-2-1-3-7-17)18-10-12-22-13-11-18/h1-13,21,23-24H,14-16H2
InChIKeyJSIJMPQSKQONSZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.33
Rot. Bonds8

About 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol

2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol (PubChem CID 110010842) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol
PubChem CID110010842
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol
SMILESOCCOc1ccccc1CNC(c1ccccc1)c1ccncc1
InChIInChI=1S/C21H22N2O2/c24-14-15-25-20-9-5-4-8-19(20)16-23-21(17-6-2-1-3-7-17)18-10-12-22-13-11-18/h1-13,21,23-24H,14-16H2
InChIKeyJSIJMPQSKQONSZ-UHFFFAOYSA-N
XLogP3.33
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
(1R)-1-phenyl-N-[[2-[6-[2-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]hexoxy]phenyl]methyl]ethanamine
CID 71178192
(1R)-2-[[(R)-phenyl(pyridin-4-yl)methyl]amino]-1-pyridin-4-ylethanol
CID 99852293
2-[2-[[2-[2-[2-[[2-(2-hydroxyethoxy)phenyl]methylamino]ethoxy]ethoxy]ethylamino]methyl]phenoxy]ethanol
CID 102444898
1-methoxy-3-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 63930265
1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979173
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
CID 110010841
1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 43608190
(2R)-1-[[phenyl(pyridin-4-yl)methyl]amino]propan-2-ol
CID 113357070
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
3-methoxy-N-[(R)-phenyl(pyridin-4-yl)methyl]propan-1-amine
CID 7097979

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol?
The IUPAC name of 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol (CID 110010842) is 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol is OCCOc1ccccc1CNC(c1ccccc1)c1ccncc1.
What is the InChIKey of 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol?
The InChIKey is JSIJMPQSKQONSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-14-15-25-20-9-5-4-8-19(20)16-23-21(17-6-2-1-3-7-17)18-10-12-22-13-11-18/h1-13,21,23-24H,14-16H2.
What are the key properties of 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol?
2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol has a molecular weight of 334.42 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[phenyl(pyridin-4-yl)methyl]amino]methyl]phenoxy]ethanol is sourced from PubChem (CID 110010842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).