2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline

C15H15BrFN — CID 114067666

IUPAC2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline
SMILESCCN(c1ccccc1)c1c(F)cccc1CBr
InChIInChI=1S/C15H15BrFN/c1-2-18(13-8-4-3-5-9-13)15-12(11-16)7-6-10-14(15)17/h3-10H,2,11H2,1H3
InChIKeyVCPSAWRSKXHHTB-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.88
Rot. Bonds4

About 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline

2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline (PubChem CID 114067666) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline.

Molecular Properties

Compound Name2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline
PubChem CID114067666
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline
SMILESCCN(c1ccccc1)c1c(F)cccc1CBr
InChIInChI=1S/C15H15BrFN/c1-2-18(13-8-4-3-5-9-13)15-12(11-16)7-6-10-14(15)17/h3-10H,2,11H2,1H3
InChIKeyVCPSAWRSKXHHTB-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-N-ethyl-4-fluoro-N-phenylaniline
CID 107079476
2-(bromomethyl)-N-tert-butyl-6-fluoro-N-methylaniline
CID 130756582
1-(bromomethyl)-3-fluoro-2-methylsulfonylbenzene
CID 66878494
2-(bromomethyl)-N-ethyl-N-(3-methylphenyl)aniline
CID 107080798
2-(bromomethyl)-6-fluoro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 114067700
2-(N-ethyl-3-fluoroanilino)-3-fluorobenzoic acid
CID 62649705
2-[(N-ethylanilino)methyl]-6-fluorophenol
CID 112616054
4-(bromomethyl)-N-ethyl-2,6-difluoro-N-(4-methylphenyl)aniline
CID 107082552
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
2-(aminomethyl)-N-ethyl-N-phenylaniline
CID 28600877
2-(bromomethyl)-N-butyl-4-chloro-N-phenylaniline
CID 107084108
4-(2-aminopropyl)-N-ethyl-2-fluoro-N-phenylaniline
CID 63785098

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline?
The IUPAC name of 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline (CID 114067666) is 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline.
What is the SMILES notation for 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline?
The canonical SMILES for 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline is CCN(c1ccccc1)c1c(F)cccc1CBr.
What is the InChIKey of 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline?
The InChIKey is VCPSAWRSKXHHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-2-18(13-8-4-3-5-9-13)15-12(11-16)7-6-10-14(15)17/h3-10H,2,11H2,1H3.
What are the key properties of 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline?
2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline has a molecular weight of 308.19 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-ethyl-6-fluoro-N-phenylaniline is sourced from PubChem (CID 114067666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).