2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol

C16H21NOS — CID 104581798

IUPAC2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol
SMILESCCc1ccc(CNC(C)c2ccc(C)cc2O)s1
InChIInChI=1S/C16H21NOS/c1-4-13-6-7-14(19-13)10-17-12(3)15-8-5-11(2)9-16(15)18/h5-9,12,17-18H,4,10H2,1-3H3
InChIKeyOKRIPLPPDGUARS-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.18
Rot. Bonds5

About 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol

2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol (PubChem CID 104581798) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol
PubChem CID104581798
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol
SMILESCCc1ccc(CNC(C)c2ccc(C)cc2O)s1
InChIInChI=1S/C16H21NOS/c1-4-13-6-7-14(19-13)10-17-12(3)15-8-5-11(2)9-16(15)18/h5-9,12,17-18H,4,10H2,1-3H3
InChIKeyOKRIPLPPDGUARS-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.18
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-[(5-methylthiophen-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 55029885
2-[1-[(2-hydroxyphenyl)methylamino]ethyl]-5-methylphenol
CID 104582169
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
5-methyl-2-[1-(1,2-oxazol-5-ylmethylamino)ethyl]phenol
CID 106415696
5-methyl-2-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenol
CID 114182895
2-[1-[[3-(hydroxymethyl)phenyl]methylamino]ethyl]-5-methylphenol
CID 104582327
2-[1-(2-hydroxy-4-methylphenyl)ethylamino]acetic acid
CID 43135042
5-methyl-2-[1-(1H-pyrazol-5-ylmethylamino)ethyl]phenol
CID 61285275
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
2-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]-5-methylphenol
CID 104980904
2-[1-[2-[butan-2-yl(methyl)amino]ethylamino]ethyl]-5-methylphenol
CID 104582213

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol (CID 104581798) is 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol is CCc1ccc(CNC(C)c2ccc(C)cc2O)s1.
What is the InChIKey of 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol?
The InChIKey is OKRIPLPPDGUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-13-6-7-14(19-13)10-17-12(3)15-8-5-11(2)9-16(15)18/h5-9,12,17-18H,4,10H2,1-3H3.
What are the key properties of 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol?
2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol has a molecular weight of 275.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol is sourced from PubChem (CID 104581798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).