methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

C13H16NOS+ — CID 7827460

IUPACmethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESC[NH2+]Cc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C13H15NOS/c1-14-9-11-4-6-12(7-5-11)15-10-13-3-2-8-16-13/h2-8,14H,9-10H2,1H3/p+1
InChIKeyTUBYPRWSBDQWQL-UHFFFAOYSA-O
MW234.34 g/mol
LogP2.02
Rot. Bonds5

About methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium

methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (PubChem CID 7827460) has the molecular formula C13H16NOS+ and a molecular weight of 234.34 g/mol. Its IUPAC name is methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.

Molecular Properties

Compound Namemethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
PubChem CID7827460
Molecular FormulaC13H16NOS+
Molecular Weight234.34 g/mol
Exact Mass234.09
IUPAC Namemethyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
SMILESC[NH2+]Cc1ccc(OCc2cccs2)cc1
InChIInChI=1S/C13H15NOS/c1-14-9-11-4-6-12(7-5-11)15-10-13-3-2-8-16-13/h2-8,14H,9-10H2,1H3/p+1
InChIKeyTUBYPRWSBDQWQL-UHFFFAOYSA-O
XLogP2.02
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827012
2-[[4-(bromomethyl)phenoxy]methyl]thiophene
CID 43141545
1-[4-(thiophen-2-ylmethoxy)phenyl]propan-2-ol
CID 115496016
2-[4-(thiophen-2-ylmethoxy)phenyl]acetonitrile
CID 24703344
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60880650
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17290088
N-methyl-4-(thiophen-2-ylmethoxy)aniline
CID 61027856
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621627
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
2,4,4-trimethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]pentan-2-amine
CID 4723305
2-[(4-phenylmethoxyphenyl)methyl]thiophene
CID 101069381
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311

Frequently Asked Questions

What is the IUPAC name of methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The IUPAC name of methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium (CID 7827460) is methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium.
What is the SMILES notation for methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The canonical SMILES for methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is C[NH2+]Cc1ccc(OCc2cccs2)cc1.
What is the InChIKey of methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
The InChIKey is TUBYPRWSBDQWQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H15NOS/c1-14-9-11-4-6-12(7-5-11)15-10-13-3-2-8-16-13/h2-8,14H,9-10H2,1H3/p+1.
What are the key properties of methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium?
methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium has a molecular weight of 234.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium is sourced from PubChem (CID 7827460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).