2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C11H13ClF3NO — CID 66275640

IUPAC2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-7(11(13,14)15)17-10(6-16)8-4-2-3-5-9(8)12/h2-5,7,10H,6,16H2,1H3
InChIKeyKYSLHNYTXWSXNE-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66275640) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66275640
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCC(OC(CN)c1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C11H13ClF3NO/c1-7(11(13,14)15)17-10(6-16)8-4-2-3-5-9(8)12/h2-5,7,10H,6,16H2,1H3
InChIKeyKYSLHNYTXWSXNE-UHFFFAOYSA-N
XLogP3.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
2-(2-chlorophenyl)-2-[(2-chlorophenyl)methoxy]ethanamine
CID 55022331
1-[2-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-chlorobenzene
CID 102722925
(2R)-2-propan-2-yloxy-2-[2-(trifluoromethyl)phenyl]ethanamine
CID 95001885
2-(2-chlorophenyl)-2-hexoxyethanamine
CID 55022815
1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine
CID 102721671
1-[2-bromo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]-2-methylbenzene
CID 66276806
3-(2-chlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 105454000
2-(2-chlorophenyl)-2-(3,5-difluorophenoxy)ethanamine
CID 62785210
2-(2-chlorophenyl)-2-(4-ethylphenoxy)ethanamine
CID 55022375
1-chloro-2-[1-(2-fluoroethoxy)ethyl]benzene
CID 15058794
[2-amino-1-(2-chlorophenyl)ethyl] ethaneperoxoate;hydrochloride
CID 146368556

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66275640) is 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CC(OC(CN)c1ccccc1Cl)C(F)(F)F.
What is the InChIKey of 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is KYSLHNYTXWSXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-7(11(13,14)15)17-10(6-16)8-4-2-3-5-9(8)12/h2-5,7,10H,6,16H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 267.68 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66275640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).