2-bromo-N-(3-fluoropropyl)aniline

C9H11BrFN — CID 81105386

IUPAC2-bromo-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccccc1Br
InChIInChI=1S/C9H11BrFN/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,6-7H2
InChIKeyQYBQMYMTOFLPKT-UHFFFAOYSA-N
MW232.10 g/mol
LogP3.22
Rot. Bonds4

About 2-bromo-N-(3-fluoropropyl)aniline

2-bromo-N-(3-fluoropropyl)aniline (PubChem CID 81105386) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 2-bromo-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(3-fluoropropyl)aniline
PubChem CID81105386
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name2-bromo-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccccc1Br
InChIInChI=1S/C9H11BrFN/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,6-7H2
InChIKeyQYBQMYMTOFLPKT-UHFFFAOYSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(4-phenylbutyl)aniline
CID 114333139
2-bromo-N-(4-methoxybutyl)aniline
CID 115735649
5-(2-bromoanilino)pentanoic acid
CID 28972032
2-(3-fluoropropylamino)benzaldehyde
CID 84657874
5-bromo-2,4-difluoro-N-(3-fluoropropyl)aniline
CID 102853522
2-benzyl-N-(3-fluoropropyl)aniline
CID 81106198
2,3-dichloro-N-(3-fluoropropyl)aniline
CID 81106558
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
4-bromo-N-(3-fluoropropyl)-2-methylaniline
CID 81105381
2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
CID 62560115
3-bromo-N-(3-phenylpropyl)pyridin-4-amine
CID 104776830

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-fluoropropyl)aniline?
The IUPAC name of 2-bromo-N-(3-fluoropropyl)aniline (CID 81105386) is 2-bromo-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2-bromo-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2-bromo-N-(3-fluoropropyl)aniline is FCCCNc1ccccc1Br.
What is the InChIKey of 2-bromo-N-(3-fluoropropyl)aniline?
The InChIKey is QYBQMYMTOFLPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c10-8-4-1-2-5-9(8)12-7-3-6-11/h1-2,4-5,12H,3,6-7H2.
What are the key properties of 2-bromo-N-(3-fluoropropyl)aniline?
2-bromo-N-(3-fluoropropyl)aniline has a molecular weight of 232.10 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81105386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).