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

C15H15BrFN — CID 43080628

IUPAC4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H15BrFN/c1-10-9-14(7-8-15(10)16)18-11(2)12-3-5-13(17)6-4-12/h3-9,11,18H,1-2H3
InChIKeyCDUIUWDMARHKEZ-UHFFFAOYSA-N
MW308.19 g/mol
LogP5.07
Rot. Bonds3

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

4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline (PubChem CID 43080628) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
PubChem CID43080628
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
SMILESCc1cc(NC(C)c2ccc(F)cc2)ccc1Br
InChIInChI=1S/C15H15BrFN/c1-10-9-14(7-8-15(10)16)18-11(2)12-3-5-13(17)6-4-12/h3-9,11,18H,1-2H3
InChIKeyCDUIUWDMARHKEZ-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

4-bromo-N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylaniline
CID 83117987
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
4-[1-(4-fluorophenyl)ethylamino]-2-methylbenzenecarbothioamide
CID 81275926
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622
2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43126197
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
4-bromo-N-[1-(3,5-difluorophenyl)ethyl]-3-methoxyaniline
CID 82857420
N-[1-(4-fluorophenyl)ethyl]-4-methyl-3-nitroaniline
CID 43425323
4-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 63419250
4-bromo-N-[1-(2-methoxyphenyl)ethyl]-3-methylaniline
CID 43192646

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline?
The IUPAC name of 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline (CID 43080628) is 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline is Cc1cc(NC(C)c2ccc(F)cc2)ccc1Br.
What is the InChIKey of 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline?
The InChIKey is CDUIUWDMARHKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-10-9-14(7-8-15(10)16)18-11(2)12-3-5-13(17)6-4-12/h3-9,11,18H,1-2H3.
What are the key properties of 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline?
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-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 4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline is sourced from PubChem (CID 43080628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).