4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol

C11H19NOS — CID 64912799

IUPAC4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
SMILESCc1ccsc1C(C)NCCC(C)O
InChIInChI=1S/C11H19NOS/c1-8-5-7-14-11(8)10(3)12-6-4-9(2)13/h5,7,9-10,12-13H,4,6H2,1-3H3
InChIKeyYEPIEHJJEIRGLG-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.48
Rot. Bonds5

About 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol

4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol (PubChem CID 64912799) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
PubChem CID64912799
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
SMILESCc1ccsc1C(C)NCCC(C)O
InChIInChI=1S/C11H19NOS/c1-8-5-7-14-11(8)10(3)12-6-4-9(2)13/h5,7,9-10,12-13H,4,6H2,1-3H3
InChIKeyYEPIEHJJEIRGLG-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 95310705
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]prop-2-en-1-amine
CID 114615575
4-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 63992497
4-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]butan-1-amine
CID 95310819
2-[1-(3-methylthiophen-2-yl)ethylamino]-N-propan-2-ylacetamide
CID 63993417
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
3-[1-(3-methylthiophen-2-yl)ethylamino]-N-propylpropanamide
CID 63993085
N,N-diethyl-3-[1-(3-methylthiophen-2-yl)ethylamino]propanamide
CID 63992869

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol (CID 64912799) is 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol is Cc1ccsc1C(C)NCCC(C)O.
What is the InChIKey of 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol?
The InChIKey is YEPIEHJJEIRGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-5-7-14-11(8)10(3)12-6-4-9(2)13/h5,7,9-10,12-13H,4,6H2,1-3H3.
What are the key properties of 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol?
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 64912799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).