N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine

C9H9F4N — CID 139965885

IUPACN-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine
SMILESCNC(C)c1c(F)cc(F)c(F)c1F
InChIInChI=1S/C9H9F4N/c1-4(14-2)7-5(10)3-6(11)8(12)9(7)13/h3-4,14H,1-2H3
InChIKeyMOIZEWNUGUKZQX-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.52
Rot. Bonds2

About N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine

N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine (PubChem CID 139965885) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine
PubChem CID139965885
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC NameN-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine
SMILESCNC(C)c1c(F)cc(F)c(F)c1F
InChIInChI=1S/C9H9F4N/c1-4(14-2)7-5(10)3-6(11)8(12)9(7)13/h3-4,14H,1-2H3
InChIKeyMOIZEWNUGUKZQX-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 112704561
1-(6-bromo-2,3-difluorophenyl)-N-methylethanamine
CID 165477245
1-(2,3,4,6-tetrafluorophenyl)propan-1-ol
CID 139965748
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
1-(4-bromo-3,5-difluorophenyl)-N-methylethanamine
CID 129130089
(1S)-1-(2-bromo-4,5-difluorophenyl)-N-methylethanamine
CID 131091332
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
(1S)-1-(3,4-difluoro-5-methoxyphenyl)-N-methylethanamine
CID 130783775
CID 172801487
CID 172801487
1-(2,3,4,5-tetrafluorophenyl)ethylhydrazine
CID 53402186
N,5-dimethyl-1-(2,4,6-trifluorophenyl)hexan-1-amine
CID 105028817

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine?
The IUPAC name of N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine (CID 139965885) is N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine?
The canonical SMILES for N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine is CNC(C)c1c(F)cc(F)c(F)c1F.
What is the InChIKey of N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine?
The InChIKey is MOIZEWNUGUKZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-4(14-2)7-5(10)3-6(11)8(12)9(7)13/h3-4,14H,1-2H3.
What are the key properties of N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine?
N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,4,6-tetrafluorophenyl)ethanamine is sourced from PubChem (CID 139965885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).