N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine

C15H25NOS — CID 115842776

IUPACN-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)C1COC(C)C1
InChIInChI=1S/C15H25NOS/c1-4-13-6-7-14(18-13)9-15(16-5-2)12-8-11(3)17-10-12/h6-7,11-12,15-16H,4-5,8-10H2,1-3H3
InChIKeyBXINMOQHODSIKP-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.26
Rot. Bonds6

About N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine

N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine (PubChem CID 115842776) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
PubChem CID115842776
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(CC)s1)C1COC(C)C1
InChIInChI=1S/C15H25NOS/c1-4-13-6-7-14(18-13)9-15(16-5-2)12-8-11(3)17-10-12/h6-7,11-12,15-16H,4-5,8-10H2,1-3H3
InChIKeyBXINMOQHODSIKP-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
2-(2,6-dimethylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105024778
N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658
2-(2-chloro-4-methylphenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 106866403
N-ethyl-1-(3-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 65415760
N-ethyl-1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethanamine
CID 114825892
N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115830037
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 105015814

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine (CID 115842776) is N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine is CCNC(Cc1ccc(CC)s1)C1COC(C)C1.
What is the InChIKey of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine?
The InChIKey is BXINMOQHODSIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-4-13-6-7-14(18-13)9-15(16-5-2)12-8-11(3)17-10-12/h6-7,11-12,15-16H,4-5,8-10H2,1-3H3.
What are the key properties of N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine?
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-ethylthiophen-2-yl)-1-(5-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 115842776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).