(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium

C15H20NS+ — CID 7458318

IUPAC(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium
SMILESCC(C)c1ccc(C[NH2+]Cc2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15/h3-9,12,16H,10-11H2,1-2H3/p+1
InChIKeyIZEIGBAIQYBFDJ-UHFFFAOYSA-O
MW246.40 g/mol
LogP3.14
Rot. Bonds5

About (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium

(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium (PubChem CID 7458318) has the molecular formula C15H20NS+ and a molecular weight of 246.40 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium
PubChem CID7458318
Molecular FormulaC15H20NS+
Molecular Weight246.40 g/mol
Exact Mass246.13
IUPAC Name(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium
SMILESCC(C)c1ccc(C[NH2+]Cc2cccs2)cc1
InChIInChI=1S/C15H19NS/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15/h3-9,12,16H,10-11H2,1-2H3/p+1
InChIKeyIZEIGBAIQYBFDJ-UHFFFAOYSA-O
XLogP3.14
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-propan-2-ylphenyl)-5-thiophen-2-ylpentan-2-ol
CID 105089080
(5-methylthiophen-2-yl)methyl-(thiophen-2-ylmethyl)azanium
CID 7407070
[2-[di(propan-2-yl)amino]-2-oxoethyl]-(thiophen-2-ylmethyl)azanium
CID 7437171
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
4-(4-propan-2-ylphenyl)-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 68647705
N-ethyl-2-(4-propan-2-ylphenyl)-1-thiophen-2-ylethanamine
CID 55095629
(1R)-1-(4-ethylphenyl)-N-methyl-N-(thiophen-2-ylmethyl)ethanamine
CID 70906118
[(2R)-butan-2-yl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 7827012
[(3S)-3-(furan-2-yl)-6-methylheptyl]-(thiophen-2-ylmethyl)azanium
CID 7623118
[(2S)-2-hydroxy-2-phenylethyl]-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8621627
(3-bromo-5-ethoxy-4-methoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium
CID 7315118
N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2402599

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium?
The IUPAC name of (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium (CID 7458318) is (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium.
What is the SMILES notation for (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium?
The canonical SMILES for (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium is CC(C)c1ccc(C[NH2+]Cc2cccs2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium?
The InChIKey is IZEIGBAIQYBFDJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19NS/c1-12(2)14-7-5-13(6-8-14)10-16-11-15-4-3-9-17-15/h3-9,12,16H,10-11H2,1-2H3/p+1.
What are the key properties of (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium?
(4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium has a molecular weight of 246.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)methyl-(thiophen-2-ylmethyl)azanium is sourced from PubChem (CID 7458318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).