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

C11H18ClNOS — CID 103025084

IUPAC1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-11(2,14-3)7-8(13)6-9-4-5-10(12)15-9/h4-5,8H,6-7,13H2,1-3H3
InChIKeyAQNHPLPJHCOOQJ-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.09
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103025084) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103025084
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-11(2,14-3)7-8(13)6-9-4-5-10(12)15-9/h4-5,8H,6-7,13H2,1-3H3
InChIKeyAQNHPLPJHCOOQJ-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 53.09
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-4-methylpentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine (CID 103025084) is 1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is AQNHPLPJHCOOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-11(2,14-3)7-8(13)6-9-4-5-10(12)15-9/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine?
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 247.79 g/mol, XLogP of 3.09, 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-4-methylpentan-2-amine is sourced from PubChem (CID 103025084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).