N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

C13H23NO2S — CID 54977715

IUPACN-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1cc(C)sc1C
InChIInChI=1S/C13H23NO2S/c1-11-9-13(12(2)17-11)10-14-5-4-6-16-8-7-15-3/h9,14H,4-8,10H2,1-3H3
InChIKeyKLPSDFJVBDMYAQ-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.51
Rot. Bonds9

About N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine

N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 54977715) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
PubChem CID54977715
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCCNCc1cc(C)sc1C
InChIInChI=1S/C13H23NO2S/c1-11-9-13(12(2)17-11)10-14-5-4-6-16-8-7-15-3/h9,14H,4-8,10H2,1-3H3
InChIKeyKLPSDFJVBDMYAQ-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.51
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-[(2,5-dimethylthiophen-3-yl)methyl]-2-phenoxyethanamine
CID 55013040
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
N-[(4-bromothiophen-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28834395
N-(1-benzothiophen-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60705007
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
3-(2-methoxyethoxy)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 62999936
5-[[3-(2-methoxyethoxy)propylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28722028
2-bromo-6-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 61390555
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997
3-(2-methoxyethoxy)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 28720665
N-(1H-indol-3-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 55021172
N-[(2-chloro-5-fluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 102615947

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine (CID 54977715) is N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is COCCOCCCNCc1cc(C)sc1C.
What is the InChIKey of N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is KLPSDFJVBDMYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-11-9-13(12(2)17-11)10-14-5-4-6-16-8-7-15-3/h9,14H,4-8,10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine?
N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 257.40 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylthiophen-3-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 54977715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).