N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine

C14H23NO2S — CID 116765010

IUPACN-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1(OC)CCOCC1
InChIInChI=1S/C14H23NO2S/c1-3-15-13(10-12-4-9-18-11-12)14(16-2)5-7-17-8-6-14/h4,9,11,13,15H,3,5-8,10H2,1-2H3
InChIKeyPYEWWYRLPJRLTB-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.46
Rot. Bonds6

About N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine

N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine (PubChem CID 116765010) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
PubChem CID116765010
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)C1(OC)CCOCC1
InChIInChI=1S/C14H23NO2S/c1-3-15-13(10-12-4-9-18-11-12)14(16-2)5-7-17-8-6-14/h4,9,11,13,15H,3,5-8,10H2,1-2H3
InChIKeyPYEWWYRLPJRLTB-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
N-[1-(1-methoxycyclopentyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 104611504
N-[1-(1-methoxycyclohexyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 116763428
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethanamine
CID 116765029
2-(3-chlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116765000
[1-(1-methoxycyclobutyl)-2-thiophen-3-ylethyl]hydrazine
CID 105270433
2-(2,6-dichlorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764901
N-ethyl-1-(4-methoxyoxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 116765085
N-ethyl-1-(1-phenylcyclobutyl)-2-thiophen-3-ylethanamine
CID 63078464
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(4-methoxyoxan-4-yl)ethanamine
CID 116764982
N-[1-(4-methoxyoxan-4-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 116765216
N-[2-(3-chlorophenyl)-1-(4-methoxyoxan-4-yl)ethyl]propan-1-amine
CID 116765198

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine (CID 116765010) is N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)C1(OC)CCOCC1.
What is the InChIKey of N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine?
The InChIKey is PYEWWYRLPJRLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-15-13(10-12-4-9-18-11-12)14(16-2)5-7-17-8-6-14/h4,9,11,13,15H,3,5-8,10H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxyoxan-4-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 116765010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).