4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline

C11H15FN2 — CID 143489299

IUPAC4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline
SMILESC=C(C)C(N)Cc1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2/c1-7(2)11(14)6-8-3-4-10(13)9(12)5-8/h3-5,11H,1,6,13-14H2,2H3
InChIKeyBSRMDFZSQUQRHP-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.85
Rot. Bonds3

About 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline

4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline (PubChem CID 143489299) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline
PubChem CID143489299
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline
SMILESC=C(C)C(N)Cc1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2/c1-7(2)11(14)6-8-3-4-10(13)9(12)5-8/h3-5,11H,1,6,13-14H2,2H3
InChIKeyBSRMDFZSQUQRHP-UHFFFAOYSA-N
XLogP1.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-2-amino-4,4-dimethylhex-5-enyl]-2-fluoroaniline
CID 168968934
4-(2-amino-3,3,3-trifluoropropyl)-2-fluoroaniline;hydrochloride
CID 117046713
3-methyl-1-(4-methylphenyl)but-3-en-2-amine
CID 79190743
1-(3-ethylphenyl)-3-methylbut-3-en-2-amine
CID 170419567
methyl (2S)-2-amino-3-(3-amino-4-fluorophenyl)propanoate
CID 171238427
2-fluoro-4-(iodomethyl)aniline
CID 160977967
2-fluoro-4-pentylaniline
CID 146198864
(2R)-2-amino-1-(4-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 59670759
2-amino-3-(4-tert-butyl-3-fluorophenyl)propanoic acid
CID 84799729
methyl (2S)-2-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 67966222
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
2-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 11053116

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline?
The IUPAC name of 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline (CID 143489299) is 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline.
What is the SMILES notation for 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline?
The canonical SMILES for 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline is C=C(C)C(N)Cc1ccc(N)c(F)c1.
What is the InChIKey of 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline?
The InChIKey is BSRMDFZSQUQRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7(2)11(14)6-8-3-4-10(13)9(12)5-8/h3-5,11H,1,6,13-14H2,2H3.
What are the key properties of 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline?
4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline has a molecular weight of 194.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylbut-3-enyl)-2-fluoroaniline is sourced from PubChem (CID 143489299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).