5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine

C14H17NOS — CID 82366029

IUPAC5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
SMILESCc1cc(-c2ccc(OC(C)C)cc2)c(N)s1
InChIInChI=1S/C14H17NOS/c1-9(2)16-12-6-4-11(5-7-12)13-8-10(3)17-14(13)15/h4-9H,15H2,1-3H3
InChIKeyJSXWDINVJGHRIQ-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.09
Rot. Bonds3

About 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine

5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine (PubChem CID 82366029) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
PubChem CID82366029
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
SMILESCc1cc(-c2ccc(OC(C)C)cc2)c(N)s1
InChIInChI=1S/C14H17NOS/c1-9(2)16-12-6-4-11(5-7-12)13-8-10(3)17-14(13)15/h4-9H,15H2,1-3H3
InChIKeyJSXWDINVJGHRIQ-UHFFFAOYSA-N
XLogP4.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-5-methylthiophen-2-amine
CID 82366011
4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
CID 82366114
[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine
CID 82120361
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617032
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
CID 82085777
2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
CID 55047871
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
2-cyclopentyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-amine
CID 63469712
6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 62201941
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
CID 94274161

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
The IUPAC name of 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine (CID 82366029) is 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine.
What is the SMILES notation for 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
The canonical SMILES for 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine is Cc1cc(-c2ccc(OC(C)C)cc2)c(N)s1.
What is the InChIKey of 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
The InChIKey is JSXWDINVJGHRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9(2)16-12-6-4-11(5-7-12)13-8-10(3)17-14(13)15/h4-9H,15H2,1-3H3.
What are the key properties of 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine has a molecular weight of 247.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine is sourced from PubChem (CID 82366029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).