N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride

C9H11ClF3N — CID 12689748

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCNCc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-13-6-7-3-2-4-8(5-7)9(10,11)12;/h2-5,13H,6H2,1H3;1H
InChIKeyKEDFTDFHDFUQAV-UHFFFAOYSA-N
MW225.64 g/mol
LogP2.85
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride

N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride (PubChem CID 12689748) has the molecular formula C9H11ClF3N and a molecular weight of 225.64 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
PubChem CID12689748
Molecular FormulaC9H11ClF3N
Molecular Weight225.64 g/mol
Exact Mass225.05
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
SMILESCNCc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C9H10F3N.ClH/c1-13-6-7-3-2-4-8(5-7)9(10,11)12;/h2-5,13H,6H2,1H3;1H
InChIKeyKEDFTDFHDFUQAV-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride 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

Fenfluramine
CID 3337
Dexfenfluramine
CID 66265
1,3-Benzenedimethanamine
CID 15133
N-Methylbenzylamine
CID 7669
(+)-Fenfluramine hydrochloride
CID 66264
Fenfluramine Hydrochloride
CID 91452
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
Phenethylamine, m-trifluoromethyl-
CID 104223
Levofenfluramine
CID 65801
3-Methylbenzylamine
CID 66015
N-Propylbenzylamine
CID 74850

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride (CID 12689748) is N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride is CNCc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
The InChIKey is KEDFTDFHDFUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N.ClH/c1-13-6-7-3-2-4-8(5-7)9(10,11)12;/h2-5,13H,6H2,1H3;1H.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride?
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride has a molecular weight of 225.64 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 12689748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).