2-(2,3,5-trifluorophenyl)propan-1-amine

C9H10F3N — CID 115113253

IUPAC2-(2,3,5-trifluorophenyl)propan-1-amine
SMILESCC(CN)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H10F3N/c1-5(4-13)7-2-6(10)3-8(11)9(7)12/h2-3,5H,4,13H2,1H3
InChIKeySDMTXEYIIIUIDS-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.17
Rot. Bonds2

About 2-(2,3,5-trifluorophenyl)propan-1-amine

2-(2,3,5-trifluorophenyl)propan-1-amine (PubChem CID 115113253) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-(2,3,5-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,3,5-trifluorophenyl)propan-1-amine
PubChem CID115113253
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2-(2,3,5-trifluorophenyl)propan-1-amine
SMILESCC(CN)c1cc(F)cc(F)c1F
InChIInChI=1S/C9H10F3N/c1-5(4-13)7-2-6(10)3-8(11)9(7)12/h2-3,5H,4,13H2,1H3
InChIKeySDMTXEYIIIUIDS-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117309703
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine
CID 83893597
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
1-(2,3,5-trifluorophenyl)propane-1,3-diamine
CID 130900225
(1S)-2-fluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 131081639
2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
CID 130597949
3-(3,5-difluoro-2-methylphenyl)butan-1-amine
CID 117288664
(1R)-2,2-difluoro-1-(2,3,5-trifluorophenyl)ethanamine
CID 130612107
4-amino-1-(2,3,5-trifluorophenyl)butane-1,2-diol
CID 171881078

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trifluorophenyl)propan-1-amine?
The IUPAC name of 2-(2,3,5-trifluorophenyl)propan-1-amine (CID 115113253) is 2-(2,3,5-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(2,3,5-trifluorophenyl)propan-1-amine?
The canonical SMILES for 2-(2,3,5-trifluorophenyl)propan-1-amine is CC(CN)c1cc(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5-trifluorophenyl)propan-1-amine?
The InChIKey is SDMTXEYIIIUIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5(4-13)7-2-6(10)3-8(11)9(7)12/h2-3,5H,4,13H2,1H3.
What are the key properties of 2-(2,3,5-trifluorophenyl)propan-1-amine?
2-(2,3,5-trifluorophenyl)propan-1-amine has a molecular weight of 189.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 115113253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).