2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine

C14H16ClNS — CID 79441894

IUPAC2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
SMILESNCC(CCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c15-13-6-3-11(4-7-13)12(10-16)5-8-14-2-1-9-17-14/h1-4,6-7,9,12H,5,8,10,16H2
InChIKeyMRMOLAVEIRENBA-UHFFFAOYSA-N
MW265.81 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine

2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine (PubChem CID 79441894) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
PubChem CID79441894
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
SMILESNCC(CCc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c15-13-6-3-11(4-7-13)12(10-16)5-8-14-2-1-9-17-14/h1-4,6-7,9,12H,5,8,10,16H2
InChIKeyMRMOLAVEIRENBA-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774417
2-[3-bromo-2-(4-chlorophenyl)propyl]thiophene
CID 79434107
2-[4-bromo-3-(4-bromophenyl)butyl]thiophene
CID 79434883
1-(4-chlorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61451039
3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-1-amine
CID 107993297
1-(3-chloro-4-fluorophenyl)-3-thiophen-2-ylpropan-1-ol
CID 63773688
2-(aminomethyl)-4-thiophen-2-ylbutan-1-ol
CID 63774699
2-ethyl-4-thiophen-2-ylbutan-1-amine
CID 63774088
1-(4-chlorophenyl)-2-(2-thiophen-2-ylethylamino)ethanol
CID 60724741
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine (CID 79441894) is 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine is NCC(CCc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine?
The InChIKey is MRMOLAVEIRENBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c15-13-6-3-11(4-7-13)12(10-16)5-8-14-2-1-9-17-14/h1-4,6-7,9,12H,5,8,10,16H2.
What are the key properties of 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine?
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine has a molecular weight of 265.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 79441894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).