N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine

C11H18ClNOS — CID 102976419

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-9(10-7-11(12)15-8-10)13-5-3-4-6-14-2/h7-9,13H,3-6H2,1-2H3
InChIKeyLEYUSYXTMPJWHM-UHFFFAOYSA-N
MW247.79 g/mol
LogP3.48
Rot. Bonds7

About N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine (PubChem CID 102976419) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
PubChem CID102976419
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)c1csc(Cl)c1
InChIInChI=1S/C11H18ClNOS/c1-9(10-7-11(12)15-8-10)13-5-3-4-6-14-2/h7-9,13H,3-6H2,1-2H3
InChIKeyLEYUSYXTMPJWHM-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
CID 102976967
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
1-[1-(5-chlorothiophen-3-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 102976607
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
N-[1-(3,4-dimethylphenyl)ethyl]-5-methoxypentan-1-amine
CID 103779839
1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 102976447
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
N-[(1R)-1-(3-bromophenyl)ethyl]-4-methoxybutan-1-amine
CID 104647522
1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102976720

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine (CID 102976419) is N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine is COCCCCNC(C)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine?
The InChIKey is LEYUSYXTMPJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-9(10-7-11(12)15-8-10)13-5-3-4-6-14-2/h7-9,13H,3-6H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine has a molecular weight of 247.79 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine is sourced from PubChem (CID 102976419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).