N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline

C17H19NS — CID 43724543

IUPACN-(dicyclopropylmethyl)-2-thiophen-2-ylaniline
SMILESc1csc(-c2ccccc2NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H19NS/c1-2-5-15(14(4-1)16-6-3-11-19-16)18-17(12-7-8-12)13-9-10-13/h1-6,11-13,17-18H,7-10H2
InChIKeyBPCCRNVVJLDOQF-UHFFFAOYSA-N
MW269.41 g/mol
LogP5.02
Rot. Bonds5

About N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline

N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline (PubChem CID 43724543) has the molecular formula C17H19NS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-thiophen-2-ylaniline
PubChem CID43724543
Molecular FormulaC17H19NS
Molecular Weight269.41 g/mol
Exact Mass269.12
IUPAC NameN-(dicyclopropylmethyl)-2-thiophen-2-ylaniline
SMILESc1csc(-c2ccccc2NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H19NS/c1-2-5-15(14(4-1)16-6-3-11-19-16)18-17(12-7-8-12)13-9-10-13/h1-6,11-13,17-18H,7-10H2
InChIKeyBPCCRNVVJLDOQF-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.41
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-thiophen-2-ylphenyl)thian-4-amine
CID 43724571
N-heptan-4-yl-2-thiophen-2-ylaniline
CID 43724523
2-(2-thiophen-2-ylanilino)propanoic acid
CID 66173526
N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline
CID 43724474
2-bromo-N-(dicyclopropylmethyl)aniline
CID 43362785
4-methyl-N-(2-thiophen-2-ylphenyl)cycloheptan-1-amine
CID 65080513
N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63445389
1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
CID 52546181
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-thiophen-2-ylaniline
CID 43724564
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) N-(2-thiophen-2-ylphenyl)carbamate bromide
CID 11676473
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] N-(2-thiophen-2-ylphenyl)carbamate bromide
CID 69276024

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline (CID 43724543) is N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline is c1csc(-c2ccccc2NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline?
The InChIKey is BPCCRNVVJLDOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS/c1-2-5-15(14(4-1)16-6-3-11-19-16)18-17(12-7-8-12)13-9-10-13/h1-6,11-13,17-18H,7-10H2.
What are the key properties of N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline?
N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline has a molecular weight of 269.41 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-thiophen-2-ylaniline is sourced from PubChem (CID 43724543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).