5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline

C15H15BrFN — CID 63423742

IUPAC5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
SMILESCCc1ccccc1CNc1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFN/c1-2-11-5-3-4-6-12(11)10-18-15-9-13(16)7-8-14(15)17/h3-9,18H,2,10H2,1H3
InChIKeyMKMRVQADYMZVTN-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.76
Rot. Bonds4

About 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline

5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline (PubChem CID 63423742) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
PubChem CID63423742
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline
SMILESCCc1ccccc1CNc1cc(Br)ccc1F
InChIInChI=1S/C15H15BrFN/c1-2-11-5-3-4-6-12(11)10-18-15-9-13(16)7-8-14(15)17/h3-9,18H,2,10H2,1H3
InChIKeyMKMRVQADYMZVTN-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
5-bromo-2-fluoro-N-[(2-nitrophenyl)methyl]aniline
CID 43555271
3-[(2-ethylphenyl)methylamino]-4-fluorobenzoic acid
CID 62391430
1-(4-bromo-2-fluorophenyl)-N-[(2-ethylphenyl)methyl]methanamine
CID 64681971
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylaniline
CID 63422204
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
4-bromo-2-N-[(2-fluorophenyl)methyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43231794
5-bromo-N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-2-fluoroaniline
CID 43777548
N-[(2-ethylphenyl)methyl]-3,4,5-trifluoroaniline
CID 55118736
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 79579398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline (CID 63423742) is 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline is CCc1ccccc1CNc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline?
The InChIKey is MKMRVQADYMZVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-2-11-5-3-4-6-12(11)10-18-15-9-13(16)7-8-14(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline?
5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline has a molecular weight of 308.19 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-ethylphenyl)methyl]-2-fluoroaniline is sourced from PubChem (CID 63423742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).