2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline

C10H13FN2 — CID 169473296

IUPAC2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cccc(F)c1N
InChIInChI=1S/C10H13FN2/c1-13-7-3-5-8-4-2-6-9(11)10(8)12/h2-6,13H,7,12H2,1H3
InChIKeyWFOSOLJATKKZMF-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.64
Rot. Bonds3

About 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline

2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline (PubChem CID 169473296) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
PubChem CID169473296
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cccc(F)c1N
InChIInChI=1S/C10H13FN2/c1-13-7-3-5-8-4-2-6-9(11)10(8)12/h2-6,13H,7,12H2,1H3
InChIKeyWFOSOLJATKKZMF-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

tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
4-(2-amino-3-fluorophenyl)but-3-ene-1-thiol
CID 170478004
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
methyl 3-(2-amino-3-fluorophenyl)prop-2-enoate
CID 85435170
3-(3-chloro-2-methylphenyl)-N-methylprop-2-en-1-amine
CID 169473159
(E)-3-(2-chlorophenyl)-N-methylprop-2-en-1-amine
CID 54775827
(E)-3-[2-(2-aminoethoxy)phenyl]-N-methylprop-2-en-1-amine
CID 58788114
N-methyl-3-[2-methyl-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169474051
N-ethyl-3-(2-fluorophenyl)prop-2-en-1-amine
CID 79347239
2-(cyclohexylidenemethyl)-6-fluoroaniline
CID 174342887
5-fluoro-2-methyl-4-[3-(methylamino)prop-1-enyl]aniline
CID 169473596
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline?
The IUPAC name of 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline (CID 169473296) is 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline.
What is the SMILES notation for 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline?
The canonical SMILES for 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline is CNCC=Cc1cccc(F)c1N.
What is the InChIKey of 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline?
The InChIKey is WFOSOLJATKKZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-13-7-3-5-8-4-2-6-9(11)10(8)12/h2-6,13H,7,12H2,1H3.
What are the key properties of 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline?
2-fluoro-6-[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 2-fluoro-6-[3-(methylamino)prop-1-enyl]aniline is sourced from PubChem (CID 169473296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).