4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline

C14H15BrFNS — CID 107081323

IUPAC4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1ccc(CBr)cc1F
InChIInChI=1S/C14H15BrFNS/c1-2-17(10-12-4-3-7-18-12)14-6-5-11(9-15)8-13(14)16/h3-8H,2,9-10H2,1H3
InChIKeyHAUWBHWCGGTKSM-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.81
Rot. Bonds5

About 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline

4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline (PubChem CID 107081323) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
PubChem CID107081323
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline
SMILESCCN(Cc1cccs1)c1ccc(CBr)cc1F
InChIInChI=1S/C14H15BrFNS/c1-2-17(10-12-4-3-7-18-12)14-6-5-11(9-15)8-13(14)16/h3-8H,2,9-10H2,1H3
InChIKeyHAUWBHWCGGTKSM-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081319
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluorobenzenecarbothioamide
CID 61437463
4-[ethyl(thiophen-2-ylmethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 76904138
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
2-chloro-4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 81152269
4-(bromomethyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 107079325
4-(bromomethyl)-N-ethyl-2-fluoro-N-(2-methylpropyl)aniline
CID 107080080
4-(chloromethyl)-2-fluoro-N-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43527733
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
2-(bromomethyl)-3-chloro-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 107081314
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline (CID 107081323) is 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline is CCN(Cc1cccs1)c1ccc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is HAUWBHWCGGTKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-17(10-12-4-3-7-18-12)14-6-5-11(9-15)8-13(14)16/h3-8H,2,9-10H2,1H3.
What are the key properties of 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline?
4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline has a molecular weight of 328.25 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 107081323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).