2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol

C15H15BrFNO — CID 82981518

IUPAC2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol
SMILESCCN(Cc1ccc(O)c(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-2-18(13-5-3-4-12(17)9-13)10-11-6-7-15(19)14(16)8-11/h3-9,19H,2,10H2,1H3
InChIKeyJKQVGAGTWOMCAZ-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.32
Rot. Bonds4

About 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol

2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol (PubChem CID 82981518) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol
PubChem CID82981518
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol
SMILESCCN(Cc1ccc(O)c(Br)c1)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNO/c1-2-18(13-5-3-4-12(17)9-13)10-11-6-7-15(19)14(16)8-11/h3-9,19H,2,10H2,1H3
InChIKeyJKQVGAGTWOMCAZ-UHFFFAOYSA-N
XLogP4.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]-6-methoxyphenol
CID 82958995
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-ethyl-3-fluoroaniline
CID 102770073
N-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-fluoroaniline
CID 63457156
2-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
CID 63459009
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
5-[(N-ethyl-3-fluoroanilino)methyl]furan-2-carbohydrazide
CID 63584129
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
CID 82981487
[2-bromo-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155812949
1-(2-bromophenyl)-3-(N-ethyl-3-fluoroanilino)propan-1-one
CID 63482091

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol (CID 82981518) is 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol is CCN(Cc1ccc(O)c(Br)c1)c1cccc(F)c1.
What is the InChIKey of 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol?
The InChIKey is JKQVGAGTWOMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-18(13-5-3-4-12(17)9-13)10-11-6-7-15(19)14(16)8-11/h3-9,19H,2,10H2,1H3.
What are the key properties of 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol?
2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol has a molecular weight of 324.19 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(N-ethyl-3-fluoroanilino)methyl]phenol is sourced from PubChem (CID 82981518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).