4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline

C12H16BrFN2O — CID 65437336

IUPAC4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1cc(NCCN2CCOCC2)ccc1Br
InChIInChI=1S/C12H16BrFN2O/c13-11-2-1-10(9-12(11)14)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2
InChIKeyPEGVNUAYSFAJJZ-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.33
Rot. Bonds4

About 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline

4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 65437336) has the molecular formula C12H16BrFN2O and a molecular weight of 303.17 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
PubChem CID65437336
Molecular FormulaC12H16BrFN2O
Molecular Weight303.17 g/mol
Exact Mass302.04
IUPAC Name4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1cc(NCCN2CCOCC2)ccc1Br
InChIInChI=1S/C12H16BrFN2O/c13-11-2-1-10(9-12(11)14)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2
InChIKeyPEGVNUAYSFAJJZ-UHFFFAOYSA-N
XLogP2.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911912
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
4-fluoro-N-(2-morpholin-4-ylethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 149330691
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
4-bromo-2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 107789141
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
N-(2-morpholin-4-ylethyl)-1H-indol-5-amine
CID 82539146

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline (CID 65437336) is 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline is Fc1cc(NCCN2CCOCC2)ccc1Br.
What is the InChIKey of 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is PEGVNUAYSFAJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c13-11-2-1-10(9-12(11)14)15-3-4-16-5-7-17-8-6-16/h1-2,9,15H,3-8H2.
What are the key properties of 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline?
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 303.17 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 65437336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).