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

C10H17NOS — CID 103906827

IUPAC(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccc(C(C)NC[C@@H](C)O)s1
InChIInChI=1S/C10H17NOS/c1-7(12)6-11-9(3)10-5-4-8(2)13-10/h4-5,7,9,11-12H,6H2,1-3H3/t7-,9?/m1/s1
InChIKeyPWXCEMWUPDXHLM-YOXFSPIKSA-N
MW199.32 g/mol
LogP2.09
Rot. Bonds4

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

(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol (PubChem CID 103906827) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
PubChem CID103906827
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
SMILESCc1ccc(C(C)NC[C@@H](C)O)s1
InChIInChI=1S/C10H17NOS/c1-7(12)6-11-9(3)10-5-4-8(2)13-10/h4-5,7,9,11-12H,6H2,1-3H3/t7-,9?/m1/s1
InChIKeyPWXCEMWUPDXHLM-YOXFSPIKSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473499
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
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-(diethylamino)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 54952800
2-[[(1R)-1-(5-methylthiophen-2-yl)ethyl]amino]ethanol
CID 93025500
2-methyl-3-methylsulfanyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 63983222
2-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115713828
2,2-diethoxy-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 79547244
1-(1-methoxypropan-2-yloxy)-3-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 106989621
N-(2-fluoroethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 80694036
1-(2,5-dichlorophenyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]ethanol
CID 61473675

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol (CID 103906827) is (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol is Cc1ccc(C(C)NC[C@@H](C)O)s1.
What is the InChIKey of (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
The InChIKey is PWXCEMWUPDXHLM-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H17NOS/c1-7(12)6-11-9(3)10-5-4-8(2)13-10/h4-5,7,9,11-12H,6H2,1-3H3/t7-,9?/m1/s1.
What are the key properties of (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol?
(2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol has a molecular weight of 199.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(5-methylthiophen-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103906827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).