1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine

C12H15ClF3NO — CID 82954332

IUPAC1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3NO/c1-8(17-2)10-4-3-9(7-11(10)13)18-6-5-12(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyUUEWCTHOIVSNBF-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.95
Rot. Bonds5

About 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine

1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine (PubChem CID 82954332) has the molecular formula C12H15ClF3NO and a molecular weight of 281.71 g/mol. Its IUPAC name is 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
PubChem CID82954332
Molecular FormulaC12H15ClF3NO
Molecular Weight281.71 g/mol
Exact Mass281.08
IUPAC Name1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(OCCC(F)(F)F)cc1Cl
InChIInChI=1S/C12H15ClF3NO/c1-8(17-2)10-4-3-9(7-11(10)13)18-6-5-12(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3
InChIKeyUUEWCTHOIVSNBF-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-N-methylethanamine
CID 112587918
1-[3-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine
CID 82954132
1-[2-fluoro-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]-N-methylethanamine
CID 107716449
1-[2-chloro-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202259
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
1-[2-chloro-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202367
1-[2-chloro-4-(3,5-dimethylcyclohexyl)oxyphenyl]-N-methylethanamine
CID 64729400
(1S)-1-(2-chloro-4-ethylphenyl)-N-methylethanamine;ethane
CID 142237879
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine
CID 106202263
1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
CID 82727729
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine (CID 82954332) is 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine is CNC(C)c1ccc(OCCC(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine?
The InChIKey is UUEWCTHOIVSNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO/c1-8(17-2)10-4-3-9(7-11(10)13)18-6-5-12(14,15)16/h3-4,7-8,17H,5-6H2,1-2H3.
What are the key properties of 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine?
1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine has a molecular weight of 281.71 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3,3,3-trifluoropropoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 82954332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).