N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline

C15H14BrF2N — CID 82964329

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC(C)c2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-7-12(4-6-14(9)17)19-10(2)13-8-11(16)3-5-15(13)18/h3-8,10,19H,1-2H3
InChIKeyYFWMAJSAGYYEBF-UHFFFAOYSA-N
MW326.18 g/mol
LogP5.21
Rot. Bonds3

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline

N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline (PubChem CID 82964329) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
PubChem CID82964329
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline
SMILESCc1cc(NC(C)c2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C15H14BrF2N/c1-9-7-12(4-6-14(9)17)19-10(2)13-8-11(16)3-5-15(13)18/h3-8,10,19H,1-2H3
InChIKeyYFWMAJSAGYYEBF-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.18
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(5-bromo-2-fluorophenyl)ethylamino]phenol
CID 82964843
5-bromo-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoroaniline
CID 82963196
N-[1-(5-bromo-1-benzofuran-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 63476843
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazol-5-amine
CID 82964735
N-[1-(4-bromothiophen-2-yl)ethyl]-4-fluoro-3-methylaniline
CID 107354369
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-ethynylaniline
CID 82961346
5-N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 82963519
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 82963206
N-[1-(5-bromo-2-fluorophenyl)ethyl]-3-chloro-4-nitroaniline
CID 82962942
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2-fluoro-4-methylaniline
CID 82964740
2-[1-(4-fluoro-3-methylanilino)ethyl]benzene-1,4-diol
CID 62810903
2-[1-(4-fluoro-3-methylanilino)ethyl]-4-methylphenol
CID 62810550

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline (CID 82964329) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline is Cc1cc(NC(C)c2cc(Br)ccc2F)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline?
The InChIKey is YFWMAJSAGYYEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-9-7-12(4-6-14(9)17)19-10(2)13-8-11(16)3-5-15(13)18/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline has a molecular weight of 326.18 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-4-fluoro-3-methylaniline is sourced from PubChem (CID 82964329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).