N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H13ClF3NO — CID 55031855

IUPACN-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccccc1Cl
InChIInChI=1S/C11H13ClF3NO/c12-10-4-2-1-3-9(10)7-16-5-6-17-8-11(13,14)15/h1-4,16H,5-8H2
InChIKeyATYLBECPWJRWTB-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.01
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 55031855) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID55031855
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)COCCNCc1ccccc1Cl
InChIInChI=1S/C11H13ClF3NO/c12-10-4-2-1-3-9(10)7-16-5-6-17-8-11(13,14)15/h1-4,16H,5-8H2
InChIKeyATYLBECPWJRWTB-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]aniline
CID 66417301
N-[(2,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55032016
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732644
N-[(2-prop-2-ynoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733192
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732872
N-[(4-chloro-2-methylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 104853896
N-[(2-chloro-6-nitrophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63827170
N-(isoquinolin-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 115748229
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
2-phenyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 60733353
N,N'-bis[(2-chlorophenyl)methyl]hexane-1,6-diamine
CID 16340
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 55031855) is N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)COCCNCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is ATYLBECPWJRWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c12-10-4-2-1-3-9(10)7-16-5-6-17-8-11(13,14)15/h1-4,16H,5-8H2.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 267.68 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 55031855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).