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

C15H25NO2S — CID 79365852

IUPACN-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCOC1c1cc(C)sc1C
InChIInChI=1S/C15H25NO2S/c1-11-9-14(12(2)19-11)15-13(5-4-7-18-15)10-16-6-8-17-3/h9,13,15-16H,4-8,10H2,1-3H3
InChIKeyICWQCIVWIAPPBH-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.07
Rot. Bonds6

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

N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 79365852) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine
PubChem CID79365852
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCOC1c1cc(C)sc1C
InChIInChI=1S/C15H25NO2S/c1-11-9-14(12(2)19-11)15-13(5-4-7-18-15)10-16-6-8-17-3/h9,13,15-16H,4-8,10H2,1-3H3
InChIKeyICWQCIVWIAPPBH-UHFFFAOYSA-N
XLogP3.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.07
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)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365888
2-methoxy-N-[[2-(5-methylthiophen-2-yl)oxan-3-yl]methyl]ethanamine
CID 79365128
N-[[2-(2,5-dimethylthiophen-3-yl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62712121
N-[[2-(2,3-dimethylphenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79364943
N-[[2-(4-chloro-2-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 114867635
2-methoxy-N-[(2-thiophen-3-yloxan-3-yl)methyl]ethanamine
CID 79365945
1-[2-(2,5-dimethylthiophen-3-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367948
N-[[2-(2,6-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365400
N-[[2-(3,4-dichlorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 79365759
2-methoxy-N-[(2-pyridin-3-yloxan-3-yl)methyl]ethanamine
CID 79365670
N-[[2-(3-chloro-4-fluorophenyl)oxan-3-yl]methyl]-2-methoxyethanamine
CID 81156218
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine (CID 79365852) is N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCOC1c1cc(C)sc1C.
What is the InChIKey of N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is ICWQCIVWIAPPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-11-9-14(12(2)19-11)15-13(5-4-7-18-15)10-16-6-8-17-3/h9,13,15-16H,4-8,10H2,1-3H3.
What are the key properties of N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine?
N-[[2-(2,5-dimethylthiophen-3-yl)oxan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 283.44 g/mol, XLogP of 3.07, 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)oxan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 79365852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).