2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol

C15H19NO2S — CID 61473264

IUPAC2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNC(C)c2ccc(C)s2)ccc1O
InChIInChI=1S/C15H19NO2S/c1-10-4-7-15(19-10)11(2)16-9-12-5-6-13(17)14(8-12)18-3/h4-8,11,16-17H,9H2,1-3H3
InChIKeyVNBKOHUHMKZOPW-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.62
Rot. Bonds5

About 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol

2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol (PubChem CID 61473264) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
PubChem CID61473264
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol
SMILESCOc1cc(CNC(C)c2ccc(C)s2)ccc1O
InChIInChI=1S/C15H19NO2S/c1-10-4-7-15(19-10)11(2)16-9-12-5-6-13(17)14(8-12)18-3/h4-8,11,16-17H,9H2,1-3H3
InChIKeyVNBKOHUHMKZOPW-UHFFFAOYSA-N
XLogP3.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 61473429
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
CID 61061276
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
2-methoxy-4-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43181528
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
N-[(3,4-difluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54952885
4-[[[(1S)-1-(4-bromophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 81353611
1-(5-methylthiophen-2-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61472993
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 106816707
4-[[1-(5-chlorothiophen-2-yl)ethylamino]methyl]-2,6-dimethoxyphenol
CID 43432574
2-methoxy-4-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 106388011

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol (CID 61473264) is 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol is COc1cc(CNC(C)c2ccc(C)s2)ccc1O.
What is the InChIKey of 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol?
The InChIKey is VNBKOHUHMKZOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-10-4-7-15(19-10)11(2)16-9-12-5-6-13(17)14(8-12)18-3/h4-8,11,16-17H,9H2,1-3H3.
What are the key properties of 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol?
2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol has a molecular weight of 277.39 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[1-(5-methylthiophen-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 61473264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).