N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine

C14H23NO2S — CID 79365888

IUPACN-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1cc(C)sc1C
InChIInChI=1S/C14H23NO2S/c1-10-8-13(11(2)18-10)14-12(4-6-17-14)9-15-5-7-16-3/h8,12,14-15H,4-7,9H2,1-3H3
InChIKeyULIIMGXNBUZNIK-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.68
Rot. Bonds6

About N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine

N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 79365888) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID79365888
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCOC1c1cc(C)sc1C
InChIInChI=1S/C14H23NO2S/c1-10-8-13(11(2)18-10)14-12(4-6-17-14)9-15-5-7-16-3/h8,12,14-15H,4-7,9H2,1-3H3
InChIKeyULIIMGXNBUZNIK-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365852
N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712121
1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367948
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methanol
CID 79365790
3-(chloromethyl)-2-(2,5-dimethylthiophen-3-yl)oxolane
CID 79373429
N-[[2-(3,5-dimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79370684
2-methoxy-N-[[2-(5-methylthiophen-2-yl)oxan-3-yl]methyl]ethanamine
CID 79365128
N-[[2-(3-chloro-2-fluorophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114489396
N-[[2-(4-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365254
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79364943
2-methoxy-N-[(2-pyridin-3-yloxolan-3-yl)methyl]ethanamine
CID 79365253

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine (CID 79365888) is N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCOC1c1cc(C)sc1C.
What is the InChIKey of N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is ULIIMGXNBUZNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10-8-13(11(2)18-10)14-12(4-6-17-14)9-15-5-7-16-3/h8,12,14-15H,4-7,9H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 269.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79365888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).