2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine

C11H13ClF3NO — CID 112614997

IUPAC2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1OCCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c12-9-3-1-2-8(4-6-16)10(9)17-7-5-11(13,14)15/h1-3H,4-7,16H2
InChIKeyNUYOUHALQHWLMI-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.17
Rot. Bonds5

About 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine

2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine (PubChem CID 112614997) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
PubChem CID112614997
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
SMILESNCCc1cccc(Cl)c1OCCC(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c12-9-3-1-2-8(4-6-16)10(9)17-7-5-11(13,14)15/h1-3H,4-7,16H2
InChIKeyNUYOUHALQHWLMI-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-2-(4,4,4-trifluorobutoxy)phenyl]methanamine
CID 112607694
2-[3-chloro-2-(2,2-difluoro-2-phenylethoxy)phenyl]ethanamine
CID 116790215
2-[3-chloro-2-(4-methylpentoxy)phenyl]ethanamine
CID 112615068
2-[3-chloro-2-[(2,3-difluorophenyl)methoxy]phenyl]ethanamine
CID 115957801
N-[[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methoxyethanamine
CID 115954964
2-[3-chloro-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728453
2-[5-chloro-3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 104666826
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
CID 112615060
[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanamine
CID 64552071
1-chloro-3-(chloromethyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 112613555
2-[3-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanamine
CID 115957754
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine (CID 112614997) is 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine is NCCc1cccc(Cl)c1OCCC(F)(F)F.
What is the InChIKey of 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The InChIKey is NUYOUHALQHWLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c12-9-3-1-2-8(4-6-16)10(9)17-7-5-11(13,14)15/h1-3H,4-7,16H2.
What are the key properties of 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine has a molecular weight of 267.68 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(3,3,3-trifluoropropoxy)phenyl]ethanamine is sourced from PubChem (CID 112614997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).