N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline

C18H17NS — CID 146164681

IUPACN-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline
SMILESc1ccc(N[C@H](Cc2ccsc2)c2ccccc2)cc1
InChIInChI=1S/C18H17NS/c1-3-7-16(8-4-1)18(13-15-11-12-20-14-15)19-17-9-5-2-6-10-17/h1-12,14,18-19H,13H2/t18-/m1/s1
InChIKeyUSDVMXLNIDJQIW-GOSISDBHSA-N
MW279.41 g/mol
LogP5.14
Rot. Bonds5

About N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline

N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline (PubChem CID 146164681) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline.

Molecular Properties

Compound NameN-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline
PubChem CID146164681
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC NameN-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline
SMILESc1ccc(N[C@H](Cc2ccsc2)c2ccccc2)cc1
InChIInChI=1S/C18H17NS/c1-3-7-16(8-4-1)18(13-15-11-12-20-14-15)19-17-9-5-2-6-10-17/h1-12,14,18-19H,13H2/t18-/m1/s1
InChIKeyUSDVMXLNIDJQIW-GOSISDBHSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline?
The IUPAC name of N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline (CID 146164681) is N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline.
What is the SMILES notation for N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline?
The canonical SMILES for N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline is c1ccc(N[C@H](Cc2ccsc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline?
The InChIKey is USDVMXLNIDJQIW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17NS/c1-3-7-16(8-4-1)18(13-15-11-12-20-14-15)19-17-9-5-2-6-10-17/h1-12,14,18-19H,13H2/t18-/m1/s1.
What are the key properties of N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline?
N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline has a molecular weight of 279.41 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenyl-2-thiophen-3-ylethyl]aniline is sourced from PubChem (CID 146164681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).