2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline

C9H10BrFN2 — CID 162380915

IUPAC2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline
SMILESC/C(=C/N)c1cc(F)c(Br)cc1N
InChIInChI=1S/C9H10BrFN2/c1-5(4-12)6-2-8(11)7(10)3-9(6)13/h2-4H,12-13H2,1H3/b5-4-
InChIKeyJFAHGIIFUSJACY-PLNGDYQASA-N
MW245.09 g/mol
LogP2.49
Rot. Bonds1

About 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline

2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline (PubChem CID 162380915) has the molecular formula C9H10BrFN2 and a molecular weight of 245.09 g/mol. Its IUPAC name is 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline.

Molecular Properties

Compound Name2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline
PubChem CID162380915
Molecular FormulaC9H10BrFN2
Molecular Weight245.09 g/mol
Exact Mass244.00
IUPAC Name2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline
SMILESC/C(=C/N)c1cc(F)c(Br)cc1N
InChIInChI=1S/C9H10BrFN2/c1-5(4-12)6-2-8(11)7(10)3-9(6)13/h2-4H,12-13H2,1H3/b5-4-
InChIKeyJFAHGIIFUSJACY-PLNGDYQASA-N
XLogP2.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-o-toluidine
CID 123538
5-Bromo-o-toluidine
CID 2734805
5-Bromo-4-fluoro-2-methylaniline
CID 2782786
2,2'-Diamino-4,4'-dibromobiphenyl
CID 11221538
3-Bromo-5-fluoro-2-methylaniline
CID 2737641
2-(Aminomethyl)-5-bromoaniline
CID 22391314
2-Amino-4-bromobenzotrifluoride
CID 25067357
5-Bromo-2-[(dimethylamino)methyl]aniline
CID 79712483
5-Bromo-3-fluoro-2,4-dimethylaniline
CID 84785897
4-Bromo-2-ethyl-5-fluoroaniline
CID 90146797
5-Bromo-2-methyl-3-(trifluoromethyl)aniline
CID 130778060
5-Bromo-2-tert-butylaniline
CID 11959031

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline?
The IUPAC name of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline (CID 162380915) is 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline.
What is the SMILES notation for 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline?
The canonical SMILES for 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline is C/C(=C/N)c1cc(F)c(Br)cc1N.
What is the InChIKey of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline?
The InChIKey is JFAHGIIFUSJACY-PLNGDYQASA-N. The full InChI is InChI=1S/C9H10BrFN2/c1-5(4-12)6-2-8(11)7(10)3-9(6)13/h2-4H,12-13H2,1H3/b5-4-.
What are the key properties of 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline?
2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline has a molecular weight of 245.09 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-aminoprop-1-en-2-yl]-5-bromo-4-fluoroaniline is sourced from PubChem (CID 162380915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).