5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline

C15H15BrFNO — CID 63488219

IUPAC5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
SMILESFc1ccc(Br)cc1NCCCOc1ccccc1
InChIInChI=1S/C15H15BrFNO/c16-12-7-8-14(17)15(11-12)18-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10H2
InChIKeySYZXJPRZRMVVGR-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.47
Rot. Bonds6

About 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline

5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline (PubChem CID 63488219) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
PubChem CID63488219
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline
SMILESFc1ccc(Br)cc1NCCCOc1ccccc1
InChIInChI=1S/C15H15BrFNO/c16-12-7-8-14(17)15(11-12)18-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10H2
InChIKeySYZXJPRZRMVVGR-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(4-bromophenoxy)ethyl]-2-fluoroaniline
CID 63488371
4-bromo-5-fluoro-1-N-(2-phenoxyethyl)benzene-1,2-diamine
CID 66110147
2-fluoro-1-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 62379839
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
5-bromo-2-(4-phenoxybutylamino)benzoic acid
CID 18803004
N-[(3-bromo-4-fluorophenyl)methyl]-3-phenoxypropan-1-amine
CID 60691659
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
2-bromo-1-fluoro-4-(3-phenoxypropoxy)benzene
CID 83231410
N-(5-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525087
5-bromo-2-fluoro-N-(4-methylpentyl)aniline
CID 83157091
5-bromo-2-fluoro-N-(2-propan-2-yloxyethyl)aniline
CID 61485154
5-bromo-2-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178584

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline?
The IUPAC name of 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline (CID 63488219) is 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline is Fc1ccc(Br)cc1NCCCOc1ccccc1.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline?
The InChIKey is SYZXJPRZRMVVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c16-12-7-8-14(17)15(11-12)18-9-4-10-19-13-5-2-1-3-6-13/h1-3,5-8,11,18H,4,9-10H2.
What are the key properties of 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline?
5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline has a molecular weight of 324.19 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-phenoxypropyl)aniline is sourced from PubChem (CID 63488219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).