2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine

C13H23NOS — CID 116758863

IUPAC2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine
SMILESCCOC(C)(CC)C(NC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-6-13(4,15-7-2)12(14-5)11-10(3)8-9-16-11/h8-9,12,14H,6-7H2,1-5H3
InChIKeyKPRVGFFPMYXAAA-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds6

About 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine

2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine (PubChem CID 116758863) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine
PubChem CID116758863
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine
SMILESCCOC(C)(CC)C(NC)c1sccc1C
InChIInChI=1S/C13H23NOS/c1-6-13(4,15-7-2)12(14-5)11-10(3)8-9-16-11/h8-9,12,14H,6-7H2,1-5H3
InChIKeyKPRVGFFPMYXAAA-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116758763
2-methoxy-2-methyl-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116751816
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813
2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine
CID 116759180
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
1-hydrazinyl-N,N,2-trimethyl-1-(3-methylthiophen-2-yl)butan-2-amine
CID 105240611
N-methyl-1-(3-methylthiophen-2-yl)-2-propylpentan-1-amine
CID 82984360
1-N,2-N,2-N-triethyl-2-methyl-1-(3-methylthiophen-2-yl)butane-1,2-diamine
CID 79989059
2-(diethoxymethyl)-3-methylthiophene
CID 146004797
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925
N-ethoxy-1-(3-methylthiophen-2-yl)ethanamine
CID 82709754
2-tert-butylsulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 79988789

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine (CID 116758863) is 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine is CCOC(C)(CC)C(NC)c1sccc1C.
What is the InChIKey of 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine?
The InChIKey is KPRVGFFPMYXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-6-13(4,15-7-2)12(14-5)11-10(3)8-9-16-11/h8-9,12,14H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine?
2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 116758863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).