N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline

C17H15NS — CID 164667899

IUPACN-(deuterio-phenyl-thiophen-2-ylmethyl)aniline
SMILES[2H]C(Nc1ccccc1)(c1ccccc1)c1cccs1
InChIInChI=1S/C17H15NS/c1-3-8-14(9-4-1)17(16-12-7-13-19-16)18-15-10-5-2-6-11-15/h1-13,17-18H/i17D
InChIKeySCUVBCGDPAZHBE-OKWSDYJOSA-N
MW266.39 g/mol
LogP4.95
Rot. Bonds4

About N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline

N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline (PubChem CID 164667899) has the molecular formula C17H15NS and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(deuterio-phenyl-thiophen-2-ylmethyl)aniline
PubChem CID164667899
Molecular FormulaC17H15NS
Molecular Weight266.39 g/mol
Exact Mass266.10
IUPAC NameN-(deuterio-phenyl-thiophen-2-ylmethyl)aniline
SMILES[2H]C(Nc1ccccc1)(c1ccccc1)c1cccs1
InChIInChI=1S/C17H15NS/c1-3-8-14(9-4-1)17(16-12-7-13-19-16)18-15-10-5-2-6-11-15/h1-13,17-18H/i17D
InChIKeySCUVBCGDPAZHBE-OKWSDYJOSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline?
The IUPAC name of N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline (CID 164667899) is N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline.
What is the SMILES notation for N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline?
The canonical SMILES for N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline is [2H]C(Nc1ccccc1)(c1ccccc1)c1cccs1.
What is the InChIKey of N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline?
The InChIKey is SCUVBCGDPAZHBE-OKWSDYJOSA-N. The full InChI is InChI=1S/C17H15NS/c1-3-8-14(9-4-1)17(16-12-7-13-19-16)18-15-10-5-2-6-11-15/h1-13,17-18H/i17D.
What are the key properties of N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline?
N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline has a molecular weight of 266.39 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(deuterio-phenyl-thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 164667899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).