3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol

C15H19NOS — CID 43748540

IUPAC3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NC(C)c2cccc(O)c2)s1
InChIInChI=1S/C15H19NOS/c1-10-7-8-15(18-10)12(3)16-11(2)13-5-4-6-14(17)9-13/h4-9,11-12,16-17H,1-3H3
InChIKeyOABXFRIVNAYMMF-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.17
Rot. Bonds4

About 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol

3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol (PubChem CID 43748540) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol
PubChem CID43748540
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol
SMILESCc1ccc(C(C)NC(C)c2cccc(O)c2)s1
InChIInChI=1S/C15H19NOS/c1-10-7-8-15(18-10)12(3)16-11(2)13-5-4-6-14(17)9-13/h4-9,11-12,16-17H,1-3H3
InChIKeyOABXFRIVNAYMMF-UHFFFAOYSA-N
XLogP4.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol?
The IUPAC name of 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol (CID 43748540) is 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol is Cc1ccc(C(C)NC(C)c2cccc(O)c2)s1.
What is the InChIKey of 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol?
The InChIKey is OABXFRIVNAYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-7-8-15(18-10)12(3)16-11(2)13-5-4-6-14(17)9-13/h4-9,11-12,16-17H,1-3H3.
What are the key properties of 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol?
3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol has a molecular weight of 261.39 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol is sourced from PubChem (CID 43748540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).