3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol

C21H22N2O2 — CID 95276770

IUPAC3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cccc(O)c1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H22N2O2/c1-16(23-14-17-4-2-6-20(24)12-17)19-7-9-21(10-8-19)25-15-18-5-3-11-22-13-18/h2-13,16,23-24H,14-15H2,1H3/t16-/m1/s1
InChIKeyYIHLVNBZORXZOK-MRXNPFEDSA-N
MW334.42 g/mol
LogP4.22
Rot. Bonds7

About 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol

3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol (PubChem CID 95276770) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
PubChem CID95276770
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cccc(O)c1)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C21H22N2O2/c1-16(23-14-17-4-2-6-20(24)12-17)19-7-9-21(10-8-19)25-15-18-5-3-11-22-13-18/h2-13,16,23-24H,14-15H2,1H3/t16-/m1/s1
InChIKeyYIHLVNBZORXZOK-MRXNPFEDSA-N
XLogP4.22
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
1-(2,6-dimethylphenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]thiourea
CID 43075928
3-[[3-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenoxy]methyl]benzonitrile
CID 51952383
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
3-[1-(isoquinolin-6-ylmethylamino)ethyl]phenol
CID 107037984
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 51943853

Frequently Asked Questions

What is the IUPAC name of 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol?
The IUPAC name of 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol (CID 95276770) is 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol.
What is the SMILES notation for 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol?
The canonical SMILES for 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol is C[C@@H](NCc1cccc(O)c1)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol?
The InChIKey is YIHLVNBZORXZOK-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-16(23-14-17-4-2-6-20(24)12-17)19-7-9-21(10-8-19)25-15-18-5-3-11-22-13-18/h2-13,16,23-24H,14-15H2,1H3/t16-/m1/s1.
What are the key properties of 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol?
3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol is sourced from PubChem (CID 95276770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).