N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine

C14H23NOS — CID 102833759

IUPACN-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
SMILESCCNC(CC1CCCCO1)c1ccsc1C
InChIInChI=1S/C14H23NOS/c1-3-15-14(13-7-9-17-11(13)2)10-12-6-4-5-8-16-12/h7,9,12,14-15H,3-6,8,10H2,1-2H3
InChIKeyCHMXEYPSAYGJNT-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.67
Rot. Bonds5

About N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine

N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine (PubChem CID 102833759) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
PubChem CID102833759
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
SMILESCCNC(CC1CCCCO1)c1ccsc1C
InChIInChI=1S/C14H23NOS/c1-3-15-14(13-7-9-17-11(13)2)10-12-6-4-5-8-16-12/h7,9,12,14-15H,3-6,8,10H2,1-2H3
InChIKeyCHMXEYPSAYGJNT-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine
CID 102833757
N-methyl-1-(2-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 102831896
[1-(2-methylthiophen-3-yl)-3-(oxan-2-yl)propyl]hydrazine
CID 102843428
1-(3-bromothiophen-2-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 80535906
1-(1-benzothiophen-7-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 105021741
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443
1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
N-ethyl-1-(oxan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 113391592
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156624
1-(2,5-diethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65156203
N-ethyl-2-(oxan-2-yl)-1-(3-propylphenyl)ethanamine
CID 116545086
N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
CID 102833204

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine (CID 102833759) is N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine is CCNC(CC1CCCCO1)c1ccsc1C.
What is the InChIKey of N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
The InChIKey is CHMXEYPSAYGJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-15-14(13-7-9-17-11(13)2)10-12-6-4-5-8-16-12/h7,9,12,14-15H,3-6,8,10H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine?
N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methylthiophen-3-yl)-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 102833759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).