4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol

C12H21NO2S — CID 115722580

IUPAC4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H21NO2S/c1-9-4-5-12(16-9)10(2)13-11(6-7-14)8-15-3/h4-5,10-11,13-14H,6-8H2,1-3H3
InChIKeySHMVKVHPOKDDMB-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.10
Rot. Bonds7

About 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol

4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol (PubChem CID 115722580) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
PubChem CID115722580
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NC(C)c1ccc(C)s1
InChIInChI=1S/C12H21NO2S/c1-9-4-5-12(16-9)10(2)13-11(6-7-14)8-15-3/h4-5,10-11,13-14H,6-8H2,1-3H3
InChIKeySHMVKVHPOKDDMB-UHFFFAOYSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 103902288
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
4-methoxy-3-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103785453
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-4-methoxybutan-1-ol
CID 103823079
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
1-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-2-amine
CID 115901716
3-[1-(2,4-difluorophenyl)ethylamino]-4-methoxybutan-1-ol
CID 113261939
3-[1-(2-ethoxyphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785533
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
3-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 81338565
2-methylsulfanyl-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
CID 115722509

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol (CID 115722580) is 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol is COCC(CCO)NC(C)c1ccc(C)s1.
What is the InChIKey of 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol?
The InChIKey is SHMVKVHPOKDDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-9-4-5-12(16-9)10(2)13-11(6-7-14)8-15-3/h4-5,10-11,13-14H,6-8H2,1-3H3.
What are the key properties of 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol?
4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol has a molecular weight of 243.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115722580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).