1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol

C14H26N2OS — CID 54952800

IUPAC1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)c1ccc(C)s1
InChIInChI=1S/C14H26N2OS/c1-5-16(6-2)10-13(17)9-15-12(4)14-8-7-11(3)18-14/h7-8,12-13,15,17H,5-6,9-10H2,1-4H3
InChIKeyTUYOIMVSOPTYKJ-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.41
Rot. Bonds8

About 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol

1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol (PubChem CID 54952800) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
PubChem CID54952800
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)c1ccc(C)s1
InChIInChI=1S/C14H26N2OS/c1-5-16(6-2)10-13(17)9-15-12(4)14-8-7-11(3)18-14/h7-8,12-13,15,17H,5-6,9-10H2,1-4H3
InChIKeyTUYOIMVSOPTYKJ-UHFFFAOYSA-N
XLogP2.41
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 103906827
2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 106989621
1-(2-butoxyethoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474085
1-(diethylamino)-3-[[(1S)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 81361333
2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 79547244
6-[1-(5-methylthiophen-2-yl)ethylamino]hexan-3-ol
CID 115891820
1-(4-chlorophenoxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 61474000
2-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115895530
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
1-[[(1R)-1-(2-bromophenyl)ethyl]amino]-3-(diethylamino)propan-2-ol
CID 81383192

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol (CID 54952800) is 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol is CCN(CC)CC(O)CNC(C)c1ccc(C)s1.
What is the InChIKey of 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The InChIKey is TUYOIMVSOPTYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-16(6-2)10-13(17)9-15-12(4)14-8-7-11(3)18-14/h7-8,12-13,15,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol has a molecular weight of 270.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 54952800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).