5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline

C11H15FN2 — CID 169473596

IUPAC5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(C)c(N)cc1F
InChIInChI=1S/C11H15FN2/c1-8-6-9(4-3-5-14-2)10(12)7-11(8)13/h3-4,6-7,14H,5,13H2,1-2H3
InChIKeyKKEGCYNAVHXOCO-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.95
Rot. Bonds3

About 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline

5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline (PubChem CID 169473596) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
PubChem CID169473596
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(C)c(N)cc1F
InChIInChI=1S/C11H15FN2/c1-8-6-9(4-3-5-14-2)10(12)7-11(8)13/h3-4,6-7,14H,5,13H2,1-2H3
InChIKeyKKEGCYNAVHXOCO-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 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 ≤ 51.95
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

4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
2,4-dimethyl-6-[3-(methylamino)prop-1-enyl]aniline
CID 169473623
6-methyl-5-[3-(methylamino)prop-1-enyl]pyridine-2,3-diamine
CID 169473705
(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-(4-amino-2,5-difluorophenyl)but-3-enal
CID 170481917
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
3-(4-fluoro-2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473419
[3-fluoro-4-[3-(methylamino)prop-1-enyl]phenyl]methanol
CID 169473492
3-(5-amino-2-fluoro-4-methylphenyl)prop-2-enoic acid
CID 169460472
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336
2-[3-(methylamino)prop-1-enyl]-4-propan-2-ylaniline
CID 169473959

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline?
The IUPAC name of 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline (CID 169473596) is 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline.
What is the SMILES notation for 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline?
The canonical SMILES for 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline is CNCC=Cc1cc(C)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline?
The InChIKey is KKEGCYNAVHXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-8-6-9(4-3-5-14-2)10(12)7-11(8)13/h3-4,6-7,14H,5,13H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline?
5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline has a molecular weight of 194.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline is sourced from PubChem (CID 169473596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).