2-phenoxy-N-(2-thiophen-2-ylethyl)aniline

C18H17NOS — CID 63776386

IUPAC2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
SMILESc1ccc(Oc2ccccc2NCCc2cccs2)cc1
InChIInChI=1S/C18H17NOS/c1-2-7-15(8-3-1)20-18-11-5-4-10-17(18)19-13-12-16-9-6-14-21-16/h1-11,14,19H,12-13H2
InChIKeyBPJILVNHVFKYHJ-UHFFFAOYSA-N
MW295.41 g/mol
LogP5.20
Rot. Bonds6

About 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline

2-phenoxy-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63776386) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63776386
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name2-phenoxy-N-(2-thiophen-2-ylethyl)aniline
SMILESc1ccc(Oc2ccccc2NCCc2cccs2)cc1
InChIInChI=1S/C18H17NOS/c1-2-7-15(8-3-1)20-18-11-5-4-10-17(18)19-13-12-16-9-6-14-21-16/h1-11,14,19H,12-13H2
InChIKeyBPJILVNHVFKYHJ-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
N-but-3-ynyl-2-phenoxyaniline
CID 63657464
N-(3-methoxypropyl)-2-phenoxyaniline
CID 54935925
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408
2-propylsulfonyl-N-(2-thiophen-2-ylethyl)aniline
CID 43453652
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
CID 29041025
N-but-2-ynyl-2-phenoxyaniline
CID 62309532
2-(2-ethoxyanilino)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 43015979
2,4-dichloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773799
N-[(5-chloro-6-phenoxy-3-pyridinyl)methyl]-2-thiophen-2-ylethanamine
CID 141084653
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline (CID 63776386) is 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline is c1ccc(Oc2ccccc2NCCc2cccs2)cc1.
What is the InChIKey of 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is BPJILVNHVFKYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-2-7-15(8-3-1)20-18-11-5-4-10-17(18)19-13-12-16-9-6-14-21-16/h1-11,14,19H,12-13H2.
What are the key properties of 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline?
2-phenoxy-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 295.41 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63776386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).