N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine

C12H21NO2S — CID 103228622

IUPACN-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine
SMILESCCNCC(COC)OCCc1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-13-9-11(10-14-2)15-7-6-12-5-4-8-16-12/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKeyHRGVULPVKNTKRQ-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.93
Rot. Bonds9

About N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine

N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine (PubChem CID 103228622) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine
PubChem CID103228622
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine
SMILESCCNCC(COC)OCCc1cccs1
InChIInChI=1S/C12H21NO2S/c1-3-13-9-11(10-14-2)15-7-6-12-5-4-8-16-12/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3
InChIKeyHRGVULPVKNTKRQ-UHFFFAOYSA-N
XLogP1.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62485827
3-methyl-N-(2-methylpropyl)-2-(2-thiophen-2-ylethoxy)butan-1-amine
CID 62486334
(2S)-1-methoxy-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 94472999
N-ethyl-2-methyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62355435
1-N,2-N-diethyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62463458
3-methoxy-2-(thiophen-2-ylmethoxy)propan-1-amine
CID 103228609
1-N-ethyl-2-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62421908
N-prop-2-enyl-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 62583502
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62555499
3-methoxy-2-N-propan-2-yl-1-N-propyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 103226159
N-[[6-(2-thiophen-2-ylethoxymethyl)-2-pyridinyl]methyl]ethanamine
CID 106908279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine (CID 103228622) is N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine is CCNCC(COC)OCCc1cccs1.
What is the InChIKey of N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine?
The InChIKey is HRGVULPVKNTKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-3-13-9-11(10-14-2)15-7-6-12-5-4-8-16-12/h4-5,8,11,13H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine?
N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine is sourced from PubChem (CID 103228622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).