N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline

C15H14BrF2N — CID 106263151

IUPACN-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-2-10-5-3-4-6-14(10)19-9-11-13(17)8-7-12(16)15(11)18/h3-8,19H,2,9H2,1H3
InChIKeyMRUIFTLLABEEBX-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.90
Rot. Bonds4

About N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline

N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline (PubChem CID 106263151) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
PubChem CID106263151
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1c(F)ccc(Br)c1F
InChIInChI=1S/C15H14BrF2N/c1-2-10-5-3-4-6-14(10)19-9-11-13(17)8-7-12(16)15(11)18/h3-8,19H,2,9H2,1H3
InChIKeyMRUIFTLLABEEBX-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline
CID 106263591
N-[(3-bromo-2,6-difluorophenyl)methyl]naphthalen-1-amine
CID 106263071
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-(1-chloroethyl)aniline
CID 106272327
2-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-5-methylaniline
CID 106263661
5-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263798
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
N-[(3-bromo-2,6-difluorophenyl)methyl]-2,4-difluoroaniline
CID 106263145
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 106263103
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-3-fluoroaniline
CID 106263519
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
CID 63423742
4-bromo-N-[(3-bromo-2,6-difluorophenyl)methyl]-2,6-dimethylaniline
CID 106263172

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline (CID 106263151) is N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline is CCc1ccccc1NCc1c(F)ccc(Br)c1F.
What is the InChIKey of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
The InChIKey is MRUIFTLLABEEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-10-5-3-4-6-14(10)19-9-11-13(17)8-7-12(16)15(11)18/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline?
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline has a molecular weight of 326.18 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 106263151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).