4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline

C10H13FN2 — CID 169473282

IUPAC4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(N)ccc1F
InChIInChI=1S/C10H13FN2/c1-13-6-2-3-8-7-9(12)4-5-10(8)11/h2-5,7,13H,6,12H2,1H3
InChIKeyVWUFWRKVAFGOQI-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.64
Rot. Bonds3

About 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline

4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline (PubChem CID 169473282) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
PubChem CID169473282
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(N)ccc1F
InChIInChI=1S/C10H13FN2/c1-13-6-2-3-8-7-9(12)4-5-10(8)11/h2-5,7,13H,6,12H2,1H3
InChIKeyVWUFWRKVAFGOQI-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.64
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-(4-chlorobut-1-enyl)-4-fluoroaniline
CID 170498824
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
CID 169473596
3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476
2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473296
4-(2,5-difluorophenyl)-N-methylbut-3-en-1-amine
CID 79590280
6-chloro-5-[3-(methylamino)prop-1-enyl]pyridin-3-amine
CID 169473240
4-fluoro-3-[3-(methylamino)propyl]aniline
CID 84658598
3-(2-bromo-4-chlorophenyl)-N-methylprop-2-en-1-amine
CID 169474594
N-[3-(5-chloro-2-fluorophenyl)prop-2-enyl]acetamide
CID 169464994
N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine
CID 169473405

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline?
The IUPAC name of 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline (CID 169473282) is 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline.
What is the SMILES notation for 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline?
The canonical SMILES for 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline is CNCC=Cc1cc(N)ccc1F.
What is the InChIKey of 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline?
The InChIKey is VWUFWRKVAFGOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-13-6-2-3-8-7-9(12)4-5-10(8)11/h2-5,7,13H,6,12H2,1H3.
What are the key properties of 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline?
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline has a molecular weight of 180.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline is sourced from PubChem (CID 169473282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).