1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine

C9H14ClNOS — CID 62605710

IUPAC1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-12-5-4-7(11)6-8-2-3-9(10)13-8/h2-3,7H,4-6,11H2,1H3
InChIKeyPWZDJOVKPCMLOK-UHFFFAOYSA-N
MW219.74 g/mol
LogP2.31
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine

1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine (PubChem CID 62605710) has the molecular formula C9H14ClNOS and a molecular weight of 219.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine
PubChem CID62605710
Molecular FormulaC9H14ClNOS
Molecular Weight219.74 g/mol
Exact Mass219.05
IUPAC Name1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNOS/c1-12-5-4-7(11)6-8-2-3-9(10)13-8/h2-3,7H,4-6,11H2,1H3
InChIKeyPWZDJOVKPCMLOK-UHFFFAOYSA-N
XLogP2.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.31
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-methoxybutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine (CID 62605710) is 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine is COCCC(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine?
The InChIKey is PWZDJOVKPCMLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNOS/c1-12-5-4-7(11)6-8-2-3-9(10)13-8/h2-3,7H,4-6,11H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine?
1-(5-chlorothiophen-2-yl)-4-methoxybutan-2-amine has a molecular weight of 219.74 g/mol, XLogP of 2.31, 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-methoxybutan-2-amine is sourced from PubChem (CID 62605710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).