1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine

C14H16ClNOS — CID 105147757

IUPAC1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine
SMILESNC(CCc1ccsc1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNOS/c15-12-2-5-14(6-3-12)17-9-13(16)4-1-11-7-8-18-10-11/h2-3,5-8,10,13H,1,4,9,16H2
InChIKeySFBROVGAZLRLBG-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.74
Rot. Bonds6

About 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine

1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine (PubChem CID 105147757) has the molecular formula C14H16ClNOS and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine
PubChem CID105147757
Molecular FormulaC14H16ClNOS
Molecular Weight281.81 g/mol
Exact Mass281.06
IUPAC Name1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine
SMILESNC(CCc1ccsc1)COc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClNOS/c15-12-2-5-14(6-3-12)17-9-13(16)4-1-11-7-8-18-10-11/h2-3,5-8,10,13H,1,4,9,16H2
InChIKeySFBROVGAZLRLBG-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 115857028
4-(4-chlorophenyl)-1-methoxybutan-2-amine
CID 62321130
1-thiophen-3-ylnonan-3-amine
CID 115857036
1-propan-2-ylsulfanyl-4-thiophen-3-ylbutan-2-amine
CID 65131707
1-(2-bromo-5-chlorophenyl)-3-thiophen-3-ylpropan-1-amine
CID 114027060
(1R)-1-[4-(2-thiophen-3-ylethoxy)phenyl]ethanamine
CID 78956495
1-(4-chlorophenoxy)-3-[2-methylpropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 46007278
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
3-amino-4-(4-chlorophenoxy)butanenitrile
CID 82126783
3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
CID 64763301
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
CID 105096248

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine (CID 105147757) is 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine is NC(CCc1ccsc1)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine?
The InChIKey is SFBROVGAZLRLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNOS/c15-12-2-5-14(6-3-12)17-9-13(16)4-1-11-7-8-18-10-11/h2-3,5-8,10,13H,1,4,9,16H2.
What are the key properties of 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine?
1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine has a molecular weight of 281.81 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-4-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 105147757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).