N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine

C13H21NOS — CID 115727626

IUPACN-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCc1ccsc1CNC(C)C1CCOC1
InChIInChI=1S/C13H21NOS/c1-3-11-5-7-16-13(11)8-14-10(2)12-4-6-15-9-12/h5,7,10,12,14H,3-4,6,8-9H2,1-2H3
InChIKeyRZEPGDKNPAVEKK-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.83
Rot. Bonds5

About N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115727626) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115727626
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCc1ccsc1CNC(C)C1CCOC1
InChIInChI=1S/C13H21NOS/c1-3-11-5-7-16-13(11)8-14-10(2)12-4-6-15-9-12/h5,7,10,12,14H,3-4,6,8-9H2,1-2H3
InChIKeyRZEPGDKNPAVEKK-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115684441
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
4-[[1-(oxolan-3-yl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953590
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
2-methyl-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115907787
2-bromo-6-[[1-(oxolan-3-yl)ethylamino]methyl]phenol
CID 115655218
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
N-[(2-bromo-5-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115660141
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[1-(oxolan-3-yl)ethylamino]ethanone
CID 115889297
N-[(4-bromo-3-nitrophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655234
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115727626) is N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine is CCc1ccsc1CNC(C)C1CCOC1.
What is the InChIKey of N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is RZEPGDKNPAVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-11-5-7-16-13(11)8-14-10(2)12-4-6-15-9-12/h5,7,10,12,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 239.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115727626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).