4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol

C15H19NOS — CID 114136812

IUPAC4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
SMILESCCc1ccc(CNC(C)c2ccc(O)cc2)s1
InChIInChI=1S/C15H19NOS/c1-3-14-8-9-15(18-14)10-16-11(2)12-4-6-13(17)7-5-12/h4-9,11,16-17H,3,10H2,1-2H3
InChIKeyWEMOPEDTHGSYDP-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.87
Rot. Bonds5

About 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol

4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol (PubChem CID 114136812) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
PubChem CID114136812
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
SMILESCCc1ccc(CNC(C)c2ccc(O)cc2)s1
InChIInChI=1S/C15H19NOS/c1-3-14-8-9-15(18-14)10-16-11(2)12-4-6-13(17)7-5-12/h4-9,11,16-17H,3,10H2,1-2H3
InChIKeyWEMOPEDTHGSYDP-UHFFFAOYSA-N
XLogP3.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
CID 65246414
2-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]-5-methylphenol
CID 104581798
N-[(5-ethylthiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 43534521
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpentan-3-amine
CID 61469407
2-[(5-ethylthiophen-2-yl)methylamino]propane-1,3-diol
CID 65312373
(2S)-2-[(5-ethylthiophen-2-yl)methylamino]propanoic acid
CID 83194211
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 112696852
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
(1R)-1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 81370537
1-(4-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62048402

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol (CID 114136812) is 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol is CCc1ccc(CNC(C)c2ccc(O)cc2)s1.
What is the InChIKey of 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol?
The InChIKey is WEMOPEDTHGSYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-14-8-9-15(18-14)10-16-11(2)12-4-6-13(17)7-5-12/h4-9,11,16-17H,3,10H2,1-2H3.
What are the key properties of 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol?
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol has a molecular weight of 261.39 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 114136812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).