N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine

C10H10F3N — CID 169473405

IUPACN-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine
SMILESCNCC=Cc1c(F)ccc(F)c1F
InChIInChI=1S/C10H10F3N/c1-14-6-2-3-7-8(11)4-5-9(12)10(7)13/h2-5,14H,6H2,1H3
InChIKeyLRHYHSXOTZLXTC-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.34
Rot. Bonds3

About N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine

N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine (PubChem CID 169473405) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine
PubChem CID169473405
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC NameN-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine
SMILESCNCC=Cc1c(F)ccc(F)c1F
InChIInChI=1S/C10H10F3N/c1-14-6-2-3-7-8(11)4-5-9(12)10(7)13/h2-5,14H,6H2,1H3
InChIKeyLRHYHSXOTZLXTC-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromoprop-1-enyl)-1,3,4-trifluorobenzene
CID 169475296
tert-butyl N-[4-(2,3,6-trifluorophenyl)but-3-enyl]carbamate
CID 170490252
(E)-3-(4-chloro-2-fluorophenyl)-N-methylprop-2-en-1-amine
CID 114867476
3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
CID 169453360
3-(4-fluoro-2,6-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473419
4-fluoro-3-[3-(methylamino)prop-1-enyl]aniline
CID 169473282
3-(2,3,6-trifluorophenyl)prop-2-enal
CID 169458927
tert-butyl N-[3-(6-amino-2,3-difluorophenyl)prop-2-enyl]carbamate
CID 169467550
N-[3-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347750
3-(3-bromo-2,6-difluorophenyl)prop-2-ene-1-thiol
CID 169456341
3-(3-chloro-2,6-difluorophenyl)prop-2-en-1-amine
CID 131272725
3-(3,5-dibromo-4-pyridinyl)-N-methylprop-2-en-1-amine
CID 169474904

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine (CID 169473405) is N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine is CNCC=Cc1c(F)ccc(F)c1F.
What is the InChIKey of N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine?
The InChIKey is LRHYHSXOTZLXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c1-14-6-2-3-7-8(11)4-5-9(12)10(7)13/h2-5,14H,6H2,1H3.
What are the key properties of N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine?
N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine has a molecular weight of 201.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,3,6-trifluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 169473405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).