N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline

C14H13BrFN — CID 63458334

IUPACN-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFN/c1-17(14-8-6-13(16)7-9-14)10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3
InChIKeyUTYMPZVVFNVBNO-UHFFFAOYSA-N
MW294.17 g/mol
LogP4.22
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline

N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline (PubChem CID 63458334) has the molecular formula C14H13BrFN and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline
PubChem CID63458334
Molecular FormulaC14H13BrFN
Molecular Weight294.17 g/mol
Exact Mass293.02
IUPAC NameN-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline
SMILESCN(Cc1ccc(Br)cc1)c1ccc(F)cc1
InChIInChI=1S/C14H13BrFN/c1-17(14-8-6-13(16)7-9-14)10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3
InChIKeyUTYMPZVVFNVBNO-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline (CID 63458334) is N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline is CN(Cc1ccc(Br)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline?
The InChIKey is UTYMPZVVFNVBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN/c1-17(14-8-6-13(16)7-9-14)10-11-2-4-12(15)5-3-11/h2-9H,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline?
N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline has a molecular weight of 294.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 63458334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).