N-(1,2-dithiophen-2-ylethyl)-4-methylaniline

C17H17NS2 — CID 43765840

IUPACN-(1,2-dithiophen-2-ylethyl)-4-methylaniline
SMILESCc1ccc(NC(Cc2cccs2)c2cccs2)cc1
InChIInChI=1S/C17H17NS2/c1-13-6-8-14(9-7-13)18-16(17-5-3-11-20-17)12-15-4-2-10-19-15/h2-11,16,18H,12H2,1H3
InChIKeyXJBRCLQDLDAYSA-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.51
Rot. Bonds5

About N-(1,2-dithiophen-2-ylethyl)-4-methylaniline

N-(1,2-dithiophen-2-ylethyl)-4-methylaniline (PubChem CID 43765840) has the molecular formula C17H17NS2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)-4-methylaniline.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)-4-methylaniline
PubChem CID43765840
Molecular FormulaC17H17NS2
Molecular Weight299.46 g/mol
Exact Mass299.08
IUPAC NameN-(1,2-dithiophen-2-ylethyl)-4-methylaniline
SMILESCc1ccc(NC(Cc2cccs2)c2cccs2)cc1
InChIInChI=1S/C17H17NS2/c1-13-6-8-14(9-7-13)18-16(17-5-3-11-20-17)12-15-4-2-10-19-15/h2-11,16,18H,12H2,1H3
InChIKeyXJBRCLQDLDAYSA-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
CID 43776937
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
CID 43762685
N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 107648576
2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 43782525
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 83167757
2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142
[2-(4-methylphenyl)-1-thiophen-2-ylethyl]hydrazine
CID 105193700
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)-4-methylaniline?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)-4-methylaniline (CID 43765840) is N-(1,2-dithiophen-2-ylethyl)-4-methylaniline.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)-4-methylaniline?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)-4-methylaniline is Cc1ccc(NC(Cc2cccs2)c2cccs2)cc1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)-4-methylaniline?
The InChIKey is XJBRCLQDLDAYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS2/c1-13-6-8-14(9-7-13)18-16(17-5-3-11-20-17)12-15-4-2-10-19-15/h2-11,16,18H,12H2,1H3.
What are the key properties of N-(1,2-dithiophen-2-ylethyl)-4-methylaniline?
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline has a molecular weight of 299.46 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)-4-methylaniline is sourced from PubChem (CID 43765840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).