4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline

C19H25NOS — CID 54801991

IUPAC4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline
SMILESc1csc(CNc2ccc(OCCC3CCCCC3)cc2)c1
InChIInChI=1S/C19H25NOS/c1-2-5-16(6-3-1)12-13-21-18-10-8-17(9-11-18)20-15-19-7-4-14-22-19/h4,7-11,14,16,20H,1-3,5-6,12-13,15H2
InChIKeyPZEDYAMOMMGXQG-UHFFFAOYSA-N
MW315.48 g/mol
LogP5.71
Rot. Bonds7

About 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline

4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline (PubChem CID 54801991) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline
PubChem CID54801991
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline
SMILESc1csc(CNc2ccc(OCCC3CCCCC3)cc2)c1
InChIInChI=1S/C19H25NOS/c1-2-5-16(6-3-1)12-13-21-18-10-8-17(9-11-18)20-15-19-7-4-14-22-19/h4,7-11,14,16,20H,1-3,5-6,12-13,15H2
InChIKeyPZEDYAMOMMGXQG-UHFFFAOYSA-N
XLogP5.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.48
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclohexylethoxy)-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54802002
4-(2-cyclohexylethoxy)-N-[(4-fluorophenyl)methyl]aniline
CID 54801973
4-hexoxy-N-(thiophen-2-ylmethyl)aniline
CID 54798776
4-cyclopentylsulfanyl-N-(thiophen-2-ylmethyl)aniline
CID 43726306
2-[4-(thiophen-2-ylmethylamino)phenoxy]acetamide
CID 43711048
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cycloheptanamine;hydrochloride
CID 17331804
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331809
N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 961311
4-(2-cyclopentylethoxy)pyridine
CID 91320777
N-[2-(2-chlorophenoxy)propyl]-4-(2-cyclohexylethoxy)aniline
CID 46736339
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline (CID 54801991) is 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline is c1csc(CNc2ccc(OCCC3CCCCC3)cc2)c1.
What is the InChIKey of 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is PZEDYAMOMMGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-2-5-16(6-3-1)12-13-21-18-10-8-17(9-11-18)20-15-19-7-4-14-22-19/h4,7-11,14,16,20H,1-3,5-6,12-13,15H2.
What are the key properties of 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline?
4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 315.48 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylethoxy)-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 54801991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).