N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine

C13H22ClNOS — CID 102976967

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNC(C)c1csc(Cl)c1
InChIInChI=1S/C13H22ClNOS/c1-10(2)16-7-5-4-6-15-11(3)12-8-13(14)17-9-12/h8-11,15H,4-7H2,1-3H3
InChIKeyMGZKIAFLZQSJKS-UHFFFAOYSA-N
MW275.85 g/mol
LogP4.26
Rot. Bonds8

About N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 102976967) has the molecular formula C13H22ClNOS and a molecular weight of 275.85 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
PubChem CID102976967
Molecular FormulaC13H22ClNOS
Molecular Weight275.85 g/mol
Exact Mass275.11
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNC(C)c1csc(Cl)c1
InChIInChI=1S/C13H22ClNOS/c1-10(2)16-7-5-4-6-15-11(3)12-8-13(14)17-9-12/h8-11,15H,4-7H2,1-3H3
InChIKeyMGZKIAFLZQSJKS-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 54.26
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-propan-2-yloxybutan-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

1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-methoxybutan-1-amine
CID 102976419
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
N-[1-(3,4-dichlorophenyl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 43105122
3-propan-2-yloxy-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43108754
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262
1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 102976447
1-(5-chlorothiophen-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]ethanamine
CID 114082694
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
1-(5-chlorothiophen-3-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 102976720
1-[1-(5-chlorothiophen-3-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 102976607
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine (CID 102976967) is N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine is CC(C)OCCCCNC(C)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is MGZKIAFLZQSJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNOS/c1-10(2)16-7-5-4-6-15-11(3)12-8-13(14)17-9-12/h8-11,15H,4-7H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 275.85 g/mol, XLogP of 4.26, 8 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-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 102976967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).