N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine

C12H21NOS — CID 79574610

IUPACN-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(COC(C)C)Cc1cccs1
InChIInChI=1S/C12H21NOS/c1-4-13-11(9-14-10(2)3)8-12-6-5-7-15-12/h5-7,10-11,13H,4,8-9H2,1-3H3
InChIKeyADVFSICMLYKIBX-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.69
Rot. Bonds7

About N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine

N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine (PubChem CID 79574610) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
PubChem CID79574610
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC NameN-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
SMILESCCNC(COC(C)C)Cc1cccs1
InChIInChI=1S/C12H21NOS/c1-4-13-11(9-14-10(2)3)8-12-6-5-7-15-12/h5-7,10-11,13H,4,8-9H2,1-3H3
InChIKeyADVFSICMLYKIBX-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5-methoxy-4-methyl-1-thiophen-2-ylpentan-2-amine
CID 105134154
N-ethyl-5-methyl-1-thiophen-2-ylhexan-2-amine
CID 61065868
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine
CID 79574491
N-ethyl-1-propylsulfanyl-3-thiophen-2-ylpropan-2-amine
CID 65129208
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
N-ethyl-3-(thiophen-2-ylmethyl)pentan-2-amine
CID 61000963
N-ethyl-1-(furan-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105177781
N-ethyl-4-pyridin-2-yl-1-thiophen-2-ylbutan-2-amine
CID 105134313
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-thiophen-2-ylpropan-2-amine
CID 62501355

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine (CID 79574610) is N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine is CCNC(COC(C)C)Cc1cccs1.
What is the InChIKey of N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine?
The InChIKey is ADVFSICMLYKIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-4-13-11(9-14-10(2)3)8-12-6-5-7-15-12/h5-7,10-11,13H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine?
N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine has a molecular weight of 227.37 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-yloxy-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79574610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).