N-methyl-2-(3,4,5-trifluorophenyl)ethanamine

C9H10F3N — CID 64866186

IUPACN-methyl-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCNCCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3N/c1-13-3-2-6-4-7(10)9(12)8(11)5-6/h4-5,13H,2-3H2,1H3
InChIKeyDNWVIRRPOWDQNU-UHFFFAOYSA-N
MW189.18 g/mol
LogP1.87
Rot. Bonds3

About N-methyl-2-(3,4,5-trifluorophenyl)ethanamine

N-methyl-2-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 64866186) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is N-methyl-2-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(3,4,5-trifluorophenyl)ethanamine
PubChem CID64866186
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC NameN-methyl-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCNCCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3N/c1-13-3-2-6-4-7(10)9(12)8(11)5-6/h4-5,13H,2-3H2,1H3
InChIKeyDNWVIRRPOWDQNU-UHFFFAOYSA-N
XLogP1.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-5-fluoro-4-methylphenyl)-N-methylethanamine
CID 83843675
2-(3-bromo-5-fluoro-4-methylsulfanylphenyl)-N-methylethanamine
CID 117445656
ethane;2-fluoro-4-[2-(methylamino)ethyl]phenol
CID 155581862
3-fluoro-2-methoxy-5-[2-(methylamino)ethyl]benzonitrile
CID 117297397
2-fluoro-N,N-dimethyl-5-[2-(methylamino)ethyl]aniline
CID 117108084
5-(2-bromoethyl)-1,2,3-trifluorobenzene
CID 22913642
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
CID 117293116
3,4,6-trifluoro-2-[2-(methylamino)ethyl]phenol
CID 117293117
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
6-[[2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy]methyl]-4-methylpyridin-2-amine
CID 176515337
1-(2-hydroxyethyl)-1-methyl-3-[2-(3,4,5-trifluorophenyl)ethyl]urea
CID 110024714

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of N-methyl-2-(3,4,5-trifluorophenyl)ethanamine (CID 64866186) is N-methyl-2-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for N-methyl-2-(3,4,5-trifluorophenyl)ethanamine is CNCCc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-methyl-2-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is DNWVIRRPOWDQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-13-3-2-6-4-7(10)9(12)8(11)5-6/h4-5,13H,2-3H2,1H3.
What are the key properties of N-methyl-2-(3,4,5-trifluorophenyl)ethanamine?
N-methyl-2-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 189.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 64866186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).