2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol

C15H19NO3S — CID 43182777

IUPAC2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
SMILESCOc1cc(CNC(C)c2cccs2)cc(OC)c1O
InChIInChI=1S/C15H19NO3S/c1-10(14-5-4-6-20-14)16-9-11-7-12(18-2)15(17)13(8-11)19-3/h4-8,10,16-17H,9H2,1-3H3
InChIKeyAKCBFSDUMMIBGG-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.32
Rot. Bonds6

About 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol

2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol (PubChem CID 43182777) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
PubChem CID43182777
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol
SMILESCOc1cc(CNC(C)c2cccs2)cc(OC)c1O
InChIInChI=1S/C15H19NO3S/c1-10(14-5-4-6-20-14)16-9-11-7-12(18-2)15(17)13(8-11)19-3/h4-8,10,16-17H,9H2,1-3H3
InChIKeyAKCBFSDUMMIBGG-UHFFFAOYSA-N
XLogP3.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-4-[(1-thiophen-2-ylpropylamino)methyl]phenol
CID 61057517
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43406324
(1R)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398171
2-chloro-6-methoxy-4-[[[(1S)-2-methyl-1-thiophen-2-ylpropyl]amino]methyl]phenol
CID 41099275
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
2,6-dimethoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 7154257
N'-hydroxy-2-methoxy-4-[(1-thiophen-2-ylethylamino)methyl]benzenecarboximidamide
CID 106789560
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
2,6-dimethoxy-4-[[[(1R)-1-pyridin-4-ylethyl]amino]methyl]phenol
CID 28644929
4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]-2,6-dimethoxyphenol
CID 81402939
N-[(6-methoxy-3-pyridinyl)methyl]-1-thiophen-2-ylethanamine
CID 43206293

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol (CID 43182777) is 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol is COc1cc(CNC(C)c2cccs2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol?
The InChIKey is AKCBFSDUMMIBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-10(14-5-4-6-20-14)16-9-11-7-12(18-2)15(17)13(8-11)19-3/h4-8,10,16-17H,9H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol?
2,6-dimethoxy-4-[(1-thiophen-2-ylethylamino)methyl]phenol has a molecular weight of 293.39 g/mol, XLogP of 3.32, 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-[(1-thiophen-2-ylethylamino)methyl]phenol is sourced from PubChem (CID 43182777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).