N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline

C17H21NS — CID 43724474

IUPACN-(4-methylcyclohexyl)-2-thiophen-2-ylaniline
SMILESCC1CCC(Nc2ccccc2-c2cccs2)CC1
InChIInChI=1S/C17H21NS/c1-13-8-10-14(11-9-13)18-16-6-3-2-5-15(16)17-7-4-12-19-17/h2-7,12-14,18H,8-11H2,1H3
InChIKeyIPFHKWBGSAQZIO-UHFFFAOYSA-N
MW271.43 g/mol
LogP5.41
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline

N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline (PubChem CID 43724474) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-thiophen-2-ylaniline
PubChem CID43724474
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-(4-methylcyclohexyl)-2-thiophen-2-ylaniline
SMILESCC1CCC(Nc2ccccc2-c2cccs2)CC1
InChIInChI=1S/C17H21NS/c1-13-8-10-14(11-9-13)18-16-6-3-2-5-15(16)17-7-4-12-19-17/h2-7,12-14,18H,8-11H2,1H3
InChIKeyIPFHKWBGSAQZIO-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline?
The IUPAC name of N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline (CID 43724474) is N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline?
The canonical SMILES for N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline is CC1CCC(Nc2ccccc2-c2cccs2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline?
The InChIKey is IPFHKWBGSAQZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-13-8-10-14(11-9-13)18-16-6-3-2-5-15(16)17-7-4-12-19-17/h2-7,12-14,18H,8-11H2,1H3.
What are the key properties of N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline?
N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline has a molecular weight of 271.43 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-thiophen-2-ylaniline is sourced from PubChem (CID 43724474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).