2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol

C16H20N2O3 — CID 28644929

IUPAC2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@H](C)c2ccncc2)cc(OC)c1O
InChIInChI=1S/C16H20N2O3/c1-11(13-4-6-17-7-5-13)18-10-12-8-14(20-2)16(19)15(9-12)21-3/h4-9,11,18-19H,10H2,1-3H3/t11-/m1/s1
InChIKeyATOTYQFRZPGUPF-LLVKDONJSA-N
MW288.35 g/mol
LogP2.66
Rot. Bonds6

About 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol

2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol (PubChem CID 28644929) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
PubChem CID28644929
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
SMILESCOc1cc(CN[C@H](C)c2ccncc2)cc(OC)c1O
InChIInChI=1S/C16H20N2O3/c1-11(13-4-6-17-7-5-13)18-10-12-8-14(20-2)16(19)15(9-12)21-3/h4-9,11,18-19H,10H2,1-3H3/t11-/m1/s1
InChIKeyATOTYQFRZPGUPF-LLVKDONJSA-N
XLogP2.66
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
2,6-difluoro-4-[[[(1S)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 81406203
(1R)-N-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-pyridin-4-ylethanamine
CID 95586358
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 43182777
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 81406292
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202313
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol (CID 28644929) is 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol is COc1cc(CN[C@H](C)c2ccncc2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol?
The InChIKey is ATOTYQFRZPGUPF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(13-4-6-17-7-5-13)18-10-12-8-14(20-2)16(19)15(9-12)21-3/h4-9,11,18-19H,10H2,1-3H3/t11-/m1/s1.
What are the key properties of 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol?
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol is sourced from PubChem (CID 28644929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).