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

C10H13FN2 — CID 169473286

IUPAC3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(N)cc(F)c1
InChIInChI=1S/C10H13FN2/c1-13-4-2-3-8-5-9(11)7-10(12)6-8/h2-3,5-7,13H,4,12H2,1H3
InChIKeyYUGRACCJXOJQDT-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.64
Rot. Bonds3

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

3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline (PubChem CID 169473286) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
PubChem CID169473286
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline
SMILESCNCC=Cc1cc(N)cc(F)c1
InChIInChI=1S/C10H13FN2/c1-13-4-2-3-8-5-9(11)7-10(12)6-8/h2-3,5-7,13H,4,12H2,1H3
InChIKeyYUGRACCJXOJQDT-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-methyl-5-[3-(methylamino)prop-1-enyl]aniline
CID 169473325
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038
3-fluoro-5-[3-(methylamino)prop-1-enyl]benzaldehyde
CID 169473500
3-fluoro-5-[3-(methylamino)prop-1-enyl]phenol
CID 169473191
3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
4-(3-fluoro-5-methylphenyl)-N-methylbut-3-en-1-amine
CID 79705493
(E)-3-(3,5-difluorophenyl)prop-2-en-1-amine
CID 82668283
3-(4-fluoro-2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473419
3-chloro-5-[4-(methylamino)but-1-enyl]aniline
CID 170495443
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
3-(2,6-dichloro-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474620

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline?
The IUPAC name of 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline (CID 169473286) is 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline.
What is the SMILES notation for 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline?
The canonical SMILES for 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline is CNCC=Cc1cc(N)cc(F)c1.
What is the InChIKey of 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline?
The InChIKey is YUGRACCJXOJQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-13-4-2-3-8-5-9(11)7-10(12)6-8/h2-3,5-7,13H,4,12H2,1H3.
What are the key properties of 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline?
3-fluoro-5-[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 3-fluoro-5-[3-(methylamino)prop-1-enyl]aniline is sourced from PubChem (CID 169473286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).