2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine

C14H23NOS — CID 116723604

IUPAC2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCCNC(c1csc(C)c1)C(OCC)C1CC1
InChIInChI=1S/C14H23NOS/c1-4-15-13(12-8-10(3)17-9-12)14(16-5-2)11-6-7-11/h8-9,11,13-15H,4-7H2,1-3H3
InChIKeyJSCXWOLKHAYZFP-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.52
Rot. Bonds7

About 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine

2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine (PubChem CID 116723604) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine
PubChem CID116723604
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine
SMILESCCNC(c1csc(C)c1)C(OCC)C1CC1
InChIInChI=1S/C14H23NOS/c1-4-15-13(12-8-10(3)17-9-12)14(16-5-2)11-6-7-11/h8-9,11,13-15H,4-7H2,1-3H3
InChIKeyJSCXWOLKHAYZFP-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-ethoxy-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116723795
2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 116723659
N-ethyl-2-methoxy-3,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116724693
2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116721090
1-(5-bromo-2-fluorophenyl)-2-cyclopropyl-2-ethoxy-N-ethylethanamine
CID 116723613
N-[(5-methylthiophen-3-yl)-(oxolan-3-yl)methyl]ethanamine
CID 65330421
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
2-cyclopropyl-N-ethyl-2-methoxy-1-thiophen-3-ylethanamine
CID 116722511
[2-ethoxy-1-(5-methylthiophen-3-yl)pentyl]hydrazine
CID 105271529
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
N-[(5-methylthiophen-3-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]ethanamine
CID 114097372
2-cyclopropyl-2-ethoxy-N-ethyl-1-quinolin-5-ylethanamine
CID 116723731

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine?
The IUPAC name of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine (CID 116723604) is 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine?
The canonical SMILES for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine is CCNC(c1csc(C)c1)C(OCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine?
The InChIKey is JSCXWOLKHAYZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-15-13(12-8-10(3)17-9-12)14(16-5-2)11-6-7-11/h8-9,11,13-15H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine?
2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine is sourced from PubChem (CID 116723604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).