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

C14H16ClNS — CID 63774417

IUPAC1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10,16H2
InChIKeyOSMYEZKGBTURKZ-UHFFFAOYSA-N
MW265.81 g/mol
LogP3.90
Rot. Bonds5

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

1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine (PubChem CID 63774417) has the molecular formula C14H16ClNS and a molecular weight of 265.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
PubChem CID63774417
Molecular FormulaC14H16ClNS
Molecular Weight265.81 g/mol
Exact Mass265.07
IUPAC Name1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNS/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10,16H2
InChIKeyOSMYEZKGBTURKZ-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775752
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
1-(2-fluorophenyl)-4-thiophen-2-ylbutan-2-amine
CID 63776300
2-(4-chlorophenyl)-4-thiophen-2-ylbutan-1-amine
CID 79441894
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
1-(4-chloro-3-fluorophenyl)-3-thiophen-2-ylpropan-2-amine
CID 107884640
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
1-(2-chloro-3-fluorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 105178908
1-N,1-N-dimethyl-5-thiophen-2-ylpentane-1,3-diamine
CID 115346068
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43677636
1-(2,3-dichlorophenyl)-5-thiophen-2-ylpentan-2-amine
CID 107312356

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine (CID 63774417) is 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine is NC(CCc1cccs1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine?
The InChIKey is OSMYEZKGBTURKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNS/c15-12-5-3-11(4-6-12)10-13(16)7-8-14-2-1-9-17-14/h1-6,9,13H,7-8,10,16H2.
What are the key properties of 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine?
1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine has a molecular weight of 265.81 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 63774417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).