5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol

C17H23NOS — CID 43722930

IUPAC5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
SMILESCc1ccc(C(C)NC(c2cccs2)C(C)C)c(O)c1
InChIInChI=1S/C17H23NOS/c1-11(2)17(16-6-5-9-20-16)18-13(4)14-8-7-12(3)10-15(14)19/h5-11,13,17-19H,1-4H3
InChIKeyFXABKZRHFGCJIN-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.81
Rot. Bonds5

About 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol

5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol (PubChem CID 43722930) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
PubChem CID43722930
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
SMILESCc1ccc(C(C)NC(c2cccs2)C(C)C)c(O)c1
InChIInChI=1S/C17H23NOS/c1-11(2)17(16-6-5-9-20-16)18-13(4)14-8-7-12(3)10-15(14)19/h5-11,13,17-19H,1-4H3
InChIKeyFXABKZRHFGCJIN-UHFFFAOYSA-N
XLogP4.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(1-thiophen-2-ylethylamino)ethyl]benzene-1,3-diol
CID 43206010
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413
2-[1-[(1-hydroxy-3-methylbutan-2-yl)amino]ethyl]-5-methylphenol
CID 79253947
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43723051
2-[1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81377013
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43722970
2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
CID 43202107
2,5-dimethyl-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43765887
methyl (2S)-2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-3-methylbutanoate
CID 43452085
5-methyl-2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol
CID 171294370
3-[1-(2,4-dihydroxyphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 43727749

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
The IUPAC name of 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol (CID 43722930) is 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol.
What is the SMILES notation for 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
The canonical SMILES for 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol is Cc1ccc(C(C)NC(c2cccs2)C(C)C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
The InChIKey is FXABKZRHFGCJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-11(2)17(16-6-5-9-20-16)18-13(4)14-8-7-12(3)10-15(14)19/h5-11,13,17-19H,1-4H3.
What are the key properties of 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol has a molecular weight of 289.44 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol is sourced from PubChem (CID 43722930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).