N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine

C10H11ClF3N — CID 83295681

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3N/c1-2-15-6-7-4-3-5-8(9(7)11)10(12,13)14/h3-5,15H,2,6H2,1H3
InChIKeyIOWYKTAEHABPEM-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.47
Rot. Bonds3

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 83295681) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID83295681
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C10H11ClF3N/c1-2-15-6-7-4-3-5-8(9(7)11)10(12,13)14/h3-5,15H,2,6H2,1H3
InChIKeyIOWYKTAEHABPEM-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-(2-fluoroethyl)urea
CID 25119147
2-[2-chloro-3-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 142465588
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methylpropan-2-amine;pyridine-4-carboxamide
CID 174687552
2-(ethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 55129029
N-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43398909
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
N-[[2-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62296366
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-4,4-dimethyl-5-oxopyrrolidine-2-carboxamide
CID 67460789
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 111468025
(4R)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 68600659
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 59252117
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25019699

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine (CID 83295681) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine is CCNCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is IOWYKTAEHABPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-2-15-6-7-4-3-5-8(9(7)11)10(12,13)14/h3-5,15H,2,6H2,1H3.
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 237.65 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 83295681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).