2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine

C10H11F4N — CID 84735272

IUPAC2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(F)(CN)C(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-7-3-2-4-8(5-7)9(11,6-15)10(12,13)14/h2-5H,6,15H2,1H3
InChIKeyJNBFWAKEZTVCGB-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.68
Rot. Bonds2

About 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine

2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine (PubChem CID 84735272) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
PubChem CID84735272
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(F)(CN)C(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-7-3-2-4-8(5-7)9(11,6-15)10(12,13)14/h2-5H,6,15H2,1H3
InChIKeyJNBFWAKEZTVCGB-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phenethylamine
CID 1001
Fenfluramine
CID 3337
Dexfenfluramine
CID 66265
(+-)-Norfenfluramine
CID 15897
(+)-Fenfluramine hydrochloride
CID 66264
2-Phenylpropylamine
CID 11398
Mofegiline
CID 6437850
Fenfluramine Hydrochloride
CID 91452
p-Methylphenethylamine
CID 76751
(+-)-p-Fluoroamphetamine
CID 9986
Phenethylamine, m-trifluoromethyl-
CID 104223
3-Methylbenzylamine
CID 66015

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine (CID 84735272) is 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(F)(CN)C(F)(F)F)c1.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine?
The InChIKey is JNBFWAKEZTVCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-7-3-2-4-8(5-7)9(11,6-15)10(12,13)14/h2-5H,6,15H2,1H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine?
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine has a molecular weight of 221.20 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 84735272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).