4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine

C15H19NOS — CID 82366114

IUPAC4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
SMILESCc1sc(N)c(-c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C15H19NOS/c1-9(2)17-13-7-5-12(6-8-13)14-10(3)11(4)18-15(14)16/h5-9H,16H2,1-4H3
InChIKeyYSMZVYMYRXVKRM-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.40
Rot. Bonds3

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

4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine (PubChem CID 82366114) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
PubChem CID82366114
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
SMILESCc1sc(N)c(-c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C15H19NOS/c1-9(2)17-13-7-5-12(6-8-13)14-10(3)11(4)18-15(14)16/h5-9H,16H2,1-4H3
InChIKeyYSMZVYMYRXVKRM-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine
CID 82366029
4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
CID 82366106
4,5-dimethyl-3-(4-nitrophenyl)thiophen-2-amine
CID 82366104
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43514782
2-(4-propan-2-yloxyphenyl)thiophene
CID 18387785
5-(4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 82472063
2-cyclopentyl-4-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-amine
CID 63469712
2-[5-(4-propan-2-yloxyphenyl)thiophen-2-yl]ethanamine
CID 94274161
2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
CID 82085777
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
2-methyl-4-(4-propan-2-yloxyphenyl)imidazole-1,5-diamine
CID 62483192
2,3-dimethyl-5-(4-propan-2-yloxyphenyl)imidazol-4-amine
CID 55047871

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
The IUPAC name of 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine (CID 82366114) is 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine.
What is the SMILES notation for 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
The canonical SMILES for 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine is Cc1sc(N)c(-c2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
The InChIKey is YSMZVYMYRXVKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-9(2)17-13-7-5-12(6-8-13)14-10(3)11(4)18-15(14)16/h5-9H,16H2,1-4H3.
What are the key properties of 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine?
4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine has a molecular weight of 261.39 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(4-propan-2-yloxyphenyl)thiophen-2-amine is sourced from PubChem (CID 82366114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).