1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine

C10H16ClNOS — CID 62621282

IUPAC1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-10(12,5-6-13-2)7-8-3-4-9(11)14-8/h3-4H,5-7,12H2,1-2H3
InChIKeyDJQWFHTYUMSDBI-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.70
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine

1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine (PubChem CID 62621282) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine
PubChem CID62621282
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-10(12,5-6-13-2)7-8-3-4-9(11)14-8/h3-4H,5-7,12H2,1-2H3
InChIKeyDJQWFHTYUMSDBI-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine (CID 62621282) is 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine is COCCC(C)(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
The InChIKey is DJQWFHTYUMSDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-10(12,5-6-13-2)7-8-3-4-9(11)14-8/h3-4H,5-7,12H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine?
1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine has a molecular weight of 233.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-methoxy-2-methylbutan-2-amine is sourced from PubChem (CID 62621282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).