3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline

C14H17FN2S — CID 112646022

IUPAC3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
SMILESCCN(Cc1cc(N)cc(F)c1)Cc1cccs1
InChIInChI=1S/C14H17FN2S/c1-2-17(10-14-4-3-5-18-14)9-11-6-12(15)8-13(16)7-11/h3-8H,2,9-10,16H2,1H3
InChIKeyTYXRRPKUSAVRRK-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds5

About 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline

3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline (PubChem CID 112646022) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline.

Molecular Properties

Compound Name3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
PubChem CID112646022
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
SMILESCCN(Cc1cc(N)cc(F)c1)Cc1cccs1
InChIInChI=1S/C14H17FN2S/c1-2-17(10-14-4-3-5-18-14)9-11-6-12(15)8-13(16)7-11/h3-8H,2,9-10,16H2,1H3
InChIKeyTYXRRPKUSAVRRK-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
3-[[ethyl(furan-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646008
2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 63331319
3-[[butyl(ethyl)amino]methyl]-5-fluoroaniline
CID 112645909
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
3-(aminomethyl)-N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)aniline
CID 102813648
3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
CID 112646222
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 106268693
3-N-cyclopropyl-5-fluoro-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 54948508

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline?
The IUPAC name of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline (CID 112646022) is 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline.
What is the SMILES notation for 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline?
The canonical SMILES for 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline is CCN(Cc1cc(N)cc(F)c1)Cc1cccs1.
What is the InChIKey of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline?
The InChIKey is TYXRRPKUSAVRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-17(10-14-4-3-5-18-14)9-11-6-12(15)8-13(16)7-11/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline?
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline has a molecular weight of 264.37 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline is sourced from PubChem (CID 112646022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).