5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol

C19H25NOS — CID 58914188

IUPAC5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol
SMILESCCN(CCCCCO)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C19H25NOS/c1-2-20(14-4-3-5-15-21)18-11-8-17(9-12-18)10-13-19-7-6-16-22-19/h6-13,16,21H,2-5,14-15H2,1H3/b13-10+
InChIKeyZGKAZUGARBIVLJ-JLHYYAGUSA-N
MW315.48 g/mol
LogP4.91
Rot. Bonds9

About 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol

5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol (PubChem CID 58914188) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol.

Molecular Properties

Compound Name5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol
PubChem CID58914188
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol
SMILESCCN(CCCCCO)c1ccc(/C=C/c2cccs2)cc1
InChIInChI=1S/C19H25NOS/c1-2-20(14-4-3-5-15-21)18-11-8-17(9-12-18)10-13-19-7-6-16-22-19/h6-13,16,21H,2-5,14-15H2,1H3/b13-10+
InChIKeyZGKAZUGARBIVLJ-JLHYYAGUSA-N
XLogP4.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849
2-[N-(2-hydroxyethyl)-4-[(E)-2-thiophen-2-ylethenyl]anilino]ethanol
CID 56646588
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
6-[N-(6-hydroxyhexyl)-4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54060983
N,N-bis(4-bromophenyl)-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 67494789
N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 89344655
4-[2-[[4-[ethyl(4-hydroxybutyl)amino]phenyl]methylidene]hydrazinyl]benzoic acid
CID 164863185
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-thiophen-2-ylpenta-1,4-dien-3-one
CID 52937238
carbanide;4-[(E)-2-[1-[6-[4-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]ethenyl]-N,N-diethylaniline
CID 158421229
3-[N-ethyl-4-(trifluoromethyl)anilino]propan-1-ol
CID 113468933
4-[N-ethyl-4-(2-pyridin-4-ylethenyl)anilino]butyl acetate
CID 70404215

Frequently Asked Questions

What is the IUPAC name of 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol?
The IUPAC name of 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol (CID 58914188) is 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol.
What is the SMILES notation for 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol?
The canonical SMILES for 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol is CCN(CCCCCO)c1ccc(/C=C/c2cccs2)cc1.
What is the InChIKey of 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol?
The InChIKey is ZGKAZUGARBIVLJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H25NOS/c1-2-20(14-4-3-5-15-21)18-11-8-17(9-12-18)10-13-19-7-6-16-22-19/h6-13,16,21H,2-5,14-15H2,1H3/b13-10+.
What are the key properties of 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol?
5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol has a molecular weight of 315.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]anilino]pentan-1-ol is sourced from PubChem (CID 58914188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).