N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine

C11H18ClNOS — CID 115708442

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-7(9(3)14-4)13-8(2)10-5-6-11(12)15-10/h5-9,13H,1-4H3
InChIKeyQEKHVHOBOQPBQG-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.48
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115708442) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
PubChem CID115708442
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNOS/c1-7(9(3)14-4)13-8(2)10-5-6-11(12)15-10/h5-9,13H,1-4H3
InChIKeyQEKHVHOBOQPBQG-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 43692555
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 43439053
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
(1R)-N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 81375983
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43674153
1-(5-chlorothiophen-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905092
methyl 2-[1-(5-chlorothiophen-2-yl)ethylamino]-2-phenylacetate
CID 62111155

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine (CID 115708442) is N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is QEKHVHOBOQPBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-7(9(3)14-4)13-8(2)10-5-6-11(12)15-10/h5-9,13H,1-4H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 247.79 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115708442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).