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

C15H15BrFN — CID 107582345

IUPAC3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
SMILESCc1cc(Br)cc(NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15BrFN/c1-10-7-13(16)9-15(8-10)18-11(2)12-3-5-14(17)6-4-12/h3-9,11,18H,1-2H3
InChIKeyWHARMELVVMDBGJ-UHFFFAOYSA-N
MW308.19 g/mol
LogP5.07
Rot. Bonds3

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

3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline (PubChem CID 107582345) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
PubChem CID107582345
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
SMILESCc1cc(Br)cc(NC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C15H15BrFN/c1-10-7-13(16)9-15(8-10)18-11(2)12-3-5-14(17)6-4-12/h3-9,11,18H,1-2H3
InChIKeyWHARMELVVMDBGJ-UHFFFAOYSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.19
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methoxyaniline
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3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
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5-[1-(3-bromo-5-methylanilino)ethyl]benzene-1,3-diol
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2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
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CID 43179245
4-[1-(3-fluoro-5-methylanilino)ethyl]phenol
CID 79054695
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
CID 107582160
[4-[1-(3-bromo-5-methylanilino)ethyl]phenyl]urea
CID 104938370
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
N-[1-(4-ethylphenyl)ethyl]-3-fluoro-5-methylaniline
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N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
The IUPAC name of 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline (CID 107582345) is 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
The canonical SMILES for 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline is Cc1cc(Br)cc(NC(C)c2ccc(F)cc2)c1.
What is the InChIKey of 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
The InChIKey is WHARMELVVMDBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-7-13(16)9-15(8-10)18-11(2)12-3-5-14(17)6-4-12/h3-9,11,18H,1-2H3.
What are the key properties of 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline?
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline has a molecular weight of 308.19 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 107582345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).