1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine

C15H18ClNOS — CID 65124390

IUPAC1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H18ClNOS/c1-2-13(17)15(14-4-3-9-19-14)18-10-11-5-7-12(16)8-6-11/h3-9,13,15H,2,10,17H2,1H3
InChIKeyUXWJSBHISJMIHV-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.40
Rot. Bonds6

About 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine

1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine (PubChem CID 65124390) has the molecular formula C15H18ClNOS and a molecular weight of 295.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
PubChem CID65124390
Molecular FormulaC15H18ClNOS
Molecular Weight295.84 g/mol
Exact Mass295.08
IUPAC Name1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
SMILESCCC(N)C(OCc1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C15H18ClNOS/c1-2-13(17)15(14-4-3-9-19-14)18-10-11-5-7-12(16)8-6-11/h3-9,13,15H,2,10,17H2,1H3
InChIKeyUXWJSBHISJMIHV-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-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-[(4-chlorophenyl)methoxy]-1-(5-methylthiophen-2-yl)butan-2-amine
CID 65124391
1-[(3-bromophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine
CID 82827669
1-hexoxy-1-thiophen-2-ylbutan-2-amine
CID 55021024
1-(2-cyclobutylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 106200095
1-(2-chloro-4-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 62669704
1-(4-chloro-3-methylphenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021117
1-(4-bromo-2,5-dichlorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 107655935
1-(2-pyridin-2-ylethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021086
1-(2-chloro-4-fluorophenoxy)-1-thiophen-2-ylbutan-2-amine
CID 55020981
1-[(4-chlorophenyl)methoxy]-1-(5-chlorothiophen-2-yl)propan-2-amine
CID 65125066
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methyl-1-thiophen-2-ylbutane-1,2-diamine
CID 62978760
1-(oxolan-3-ylmethoxy)-1-thiophen-2-ylbutan-2-amine
CID 55021106

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine (CID 65124390) is 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine is CCC(N)C(OCc1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine?
The InChIKey is UXWJSBHISJMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNOS/c1-2-13(17)15(14-4-3-9-19-14)18-10-11-5-7-12(16)8-6-11/h3-9,13,15H,2,10,17H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine?
1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine has a molecular weight of 295.84 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-1-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 65124390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).