5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol

C16H21NO2S — CID 43692623

IUPAC5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cc2cccs2)c(O)c1
InChIInChI=1S/C16H21NO2S/c1-11(9-14-5-4-8-20-14)17-12(2)15-7-6-13(19-3)10-16(15)18/h4-8,10-12,17-18H,9H2,1-3H3
InChIKeyIZPLWLCQYYRDLW-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.74
Rot. Bonds6

About 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol

5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol (PubChem CID 43692623) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
PubChem CID43692623
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol
SMILESCOc1ccc(C(C)NC(C)Cc2cccs2)c(O)c1
InChIInChI=1S/C16H21NO2S/c1-11(9-14-5-4-8-20-14)17-12(2)15-7-6-13(19-3)10-16(15)18/h4-8,10-12,17-18H,9H2,1-3H3
InChIKeyIZPLWLCQYYRDLW-UHFFFAOYSA-N
XLogP3.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 43201413
5-methoxy-2-[1-(1-phenylpropan-2-ylamino)ethyl]phenol
CID 63012949
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
2-[1-(hexan-2-ylamino)ethyl]-5-methoxyphenol
CID 62196423
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]-5-methoxyphenol
CID 43205399
1-(4-methoxyphenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 43692687
5-methoxy-2-[1-(1-phenylethylamino)ethyl]phenol
CID 43200586
5-methoxy-2-[1-[[(1S)-1-phenylethyl]amino]ethyl]phenol
CID 81350522
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1-thiophen-2-ylpropan-2-amine
CID 43692689
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
5-methoxy-2-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54955000
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol (CID 43692623) is 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol is COc1ccc(C(C)NC(C)Cc2cccs2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol?
The InChIKey is IZPLWLCQYYRDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-11(9-14-5-4-8-20-14)17-12(2)15-7-6-13(19-3)10-16(15)18/h4-8,10-12,17-18H,9H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol?
5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol has a molecular weight of 291.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(1-thiophen-2-ylpropan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 43692623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).