2-(2,4,5-trifluoro-3-methylphenyl)ethanamine

C9H10F3N — CID 18184170

IUPAC2-(2,4,5-trifluoro-3-methylphenyl)ethanamine
SMILESCc1c(F)c(F)cc(CCN)c1F
InChIInChI=1S/C9H10F3N/c1-5-8(11)6(2-3-13)4-7(10)9(5)12/h4H,2-3,13H2,1H3
InChIKeyLNPNNAXDFYPXQG-UHFFFAOYSA-N
MW189.18 g/mol
LogP1.91
Rot. Bonds2

About 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine

2-(2,4,5-trifluoro-3-methylphenyl)ethanamine (PubChem CID 18184170) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,4,5-trifluoro-3-methylphenyl)ethanamine
PubChem CID18184170
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2-(2,4,5-trifluoro-3-methylphenyl)ethanamine
SMILESCc1c(F)c(F)cc(CCN)c1F
InChIInChI=1S/C9H10F3N/c1-5-8(11)6(2-3-13)4-7(10)9(5)12/h4H,2-3,13H2,1H3
InChIKeyLNPNNAXDFYPXQG-UHFFFAOYSA-N
XLogP1.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 51.91
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine (CID 18184170) is 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine is Cc1c(F)c(F)cc(CCN)c1F.
What is the InChIKey of 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine?
The InChIKey is LNPNNAXDFYPXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5-8(11)6(2-3-13)4-7(10)9(5)12/h4H,2-3,13H2,1H3.
What are the key properties of 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine?
2-(2,4,5-trifluoro-3-methylphenyl)ethanamine has a molecular weight of 189.18 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 18184170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).