N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine

C13H23NOS — CID 116758104

IUPACN-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
SMILESCCNC(c1ccc(C)s1)C(C)(CC)OC
InChIInChI=1S/C13H23NOS/c1-6-13(4,15-5)12(14-7-2)11-9-8-10(3)16-11/h8-9,12,14H,6-7H2,1-5H3
InChIKeyOKPANAQNQGZEHB-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds6

About N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine

N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine (PubChem CID 116758104) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
PubChem CID116758104
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC NameN-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
SMILESCCNC(c1ccc(C)s1)C(C)(CC)OC
InChIInChI=1S/C13H23NOS/c1-6-13(4,15-5)12(14-7-2)11-9-8-10(3)16-11/h8-9,12,14H,6-7H2,1-5H3
InChIKeyOKPANAQNQGZEHB-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-methoxy-2-methyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 79196780
N-ethyl-2-methyl-1-(5-methylthiophen-2-yl)-2-piperidin-1-ylpropan-1-amine
CID 79044961
N,2-diethyl-1-(5-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79068315
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758076
N-ethyl-2-methoxy-2-methyl-1-naphthalen-1-ylbutan-1-amine
CID 116757964
2-N,2-N,2-trimethyl-1-(5-methylthiophen-2-yl)-1-N-propylbutane-1,2-diamine
CID 79062925
N,N-diethyl-1-hydrazinyl-2-methyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 105239251
3-[hydrazinyl-(5-methylthiophen-2-yl)methyl]-N,N-dimethylpentan-3-amine
CID 105241697
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine (CID 116758104) is N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine is CCNC(c1ccc(C)s1)C(C)(CC)OC.
What is the InChIKey of N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine?
The InChIKey is OKPANAQNQGZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-6-13(4,15-5)12(14-7-2)11-9-8-10(3)16-11/h8-9,12,14H,6-7H2,1-5H3.
What are the key properties of N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine?
N-ethyl-2-methoxy-2-methyl-1-(5-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 N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 116758104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).