N-[1-(4-chlorophenyl)butyl]thiophen-3-amine

C14H16ClNS — CID 66352085

IUPACN-[1-(4-chlorophenyl)butyl]thiophen-3-amine
SMILESCCCC(Nc1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c1-2-3-14(16-13-8-9-17-10-13)11-4-6-12(15)7-5-11/h4-10,14,16H,2-3H2,1H3
InChIKeyGSPJZIJXISNZEH-UHFFFAOYSA-N
MW265.81 g/mol
LogP5.35
Rot. Bonds5

About N-[1-(4-chlorophenyl)butyl]thiophen-3-amine

N-[1-(4-chlorophenyl)butyl]thiophen-3-amine (PubChem CID 66352085) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]thiophen-3-amine
PubChem CID66352085
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC NameN-[1-(4-chlorophenyl)butyl]thiophen-3-amine
SMILESCCCC(Nc1ccsc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c1-2-3-14(16-13-8-9-17-10-13)11-4-6-12(15)7-5-11/h4-10,14,16H,2-3H2,1H3
InChIKeyGSPJZIJXISNZEH-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.81
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)butyl]pyrimidin-5-amine
CID 107587805
N-[1-(4-fluorophenyl)propyl]thiophen-3-amine
CID 66350122
2,6-dichloro-N-[1-(4-chlorophenyl)butyl]aniline
CID 65467204
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
1-(4-chlorophenyl)-N-(2-methoxyethyl)butan-1-amine
CID 43200651
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
CID 43095521
1-[1-(4-chlorophenyl)butylamino]pentan-2-ol
CID 113261482
N-[1-(4-chlorophenyl)butyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43728872
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]thiophen-3-amine?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]thiophen-3-amine (CID 66352085) is N-[1-(4-chlorophenyl)butyl]thiophen-3-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]thiophen-3-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]thiophen-3-amine is CCCC(Nc1ccsc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]thiophen-3-amine?
The InChIKey is GSPJZIJXISNZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c1-2-3-14(16-13-8-9-17-10-13)11-4-6-12(15)7-5-11/h4-10,14,16H,2-3H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]thiophen-3-amine?
N-[1-(4-chlorophenyl)butyl]thiophen-3-amine has a molecular weight of 265.81 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]thiophen-3-amine is sourced from PubChem (CID 66352085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).