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

C14H17FN2S — CID 63331319

IUPAC2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
SMILESCCN(Cc1cccs1)Cc1c(N)cccc1F
InChIInChI=1S/C14H17FN2S/c1-2-17(9-11-5-4-8-18-11)10-12-13(15)6-3-7-14(12)16/h3-8H,2,9-10,16H2,1H3
InChIKeyMOMKRQOYLUCGFQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.49
Rot. Bonds5

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

2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline (PubChem CID 63331319) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
PubChem CID63331319
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
SMILESCCN(Cc1cccs1)Cc1c(N)cccc1F
InChIInChI=1S/C14H17FN2S/c1-2-17(9-11-5-4-8-18-11)10-12-13(15)6-3-7-14(12)16/h3-8H,2,9-10,16H2,1H3
InChIKeyMOMKRQOYLUCGFQ-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

N-[(3-bromo-2,6-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 106268693
2-[[ethyl(2-methylpropyl)amino]methyl]-3-fluoroaniline
CID 63330668
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-5-fluoroaniline
CID 112646022
2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
1-N,2-diethyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79814982
N-(2,6-difluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8718062
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluorobenzenecarbothioamide
CID 61436627
N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63331189
N-(2-amino-4-fluorophenyl)-2-[ethyl(thiophen-2-ylmethyl)amino]acetamide
CID 61439173

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline?
The IUPAC name of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline (CID 63331319) is 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline.
What is the SMILES notation for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline?
The canonical SMILES for 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline is CCN(Cc1cccs1)Cc1c(N)cccc1F.
What is the InChIKey of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline?
The InChIKey is MOMKRQOYLUCGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-2-17(9-11-5-4-8-18-11)10-12-13(15)6-3-7-14(12)16/h3-8H,2,9-10,16H2,1H3.
What are the key properties of 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline?
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-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 2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline is sourced from PubChem (CID 63331319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).