(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine

C10H17NOS — CID 95310705

IUPAC(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCOCCN[C@H](C)c1sccc1C
InChIInChI=1S/C10H17NOS/c1-8-4-7-13-10(8)9(2)11-5-6-12-3/h4,7,9,11H,5-6H2,1-3H3/t9-/m1/s1
InChIKeyDKUFXCOZGYMKAL-SECBINFHSA-N
MW199.32 g/mol
LogP2.35
Rot. Bonds5

About (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine

(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 95310705) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID95310705
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine
SMILESCOCCN[C@H](C)c1sccc1C
InChIInChI=1S/C10H17NOS/c1-8-4-7-13-10(8)9(2)11-5-6-12-3/h4,7,9,11H,5-6H2,1-3H3/t9-/m1/s1
InChIKeyDKUFXCOZGYMKAL-SECBINFHSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
5-methoxy-N-[1-(3-methylthiophen-2-yl)ethyl]pentan-1-amine
CID 115714840
N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 62541320
1-(3-methylthiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63993286
N-(2-methoxyethoxy)-1-(3-methylthiophen-2-yl)ethanamine
CID 82712468
N'-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 63992889
(2R)-1-methoxy-N-[(1S)-1-(3-methylthiophen-2-yl)ethyl]propan-2-amine
CID 95310720
N-(2-methylsulfanylethyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 63993484
4-[1-(3-methylthiophen-2-yl)ethylamino]butan-2-ol
CID 64912799
7-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]octan-1-amine
CID 63991434
(E)-N-[1-(3-methylthiophen-2-yl)ethyl]pent-3-en-1-amine
CID 115890210

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine (CID 95310705) is (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine is COCCN[C@H](C)c1sccc1C.
What is the InChIKey of (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is DKUFXCOZGYMKAL-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8-4-7-13-10(8)9(2)11-5-6-12-3/h4,7,9,11H,5-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine?
(1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 199.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-methoxyethyl)-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 95310705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).