N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine

C15H22F3NO2 — CID 62110255

IUPACN-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
SMILESCOc1cccc(C(CNC(C)(C)C)OCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-14(2,3)19-9-13(21-10-15(16,17)18)11-6-5-7-12(8-11)20-4/h5-8,13,19H,9-10H2,1-4H3
InChIKeyFEDPGIOTAZVUBI-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.70
Rot. Bonds6

About N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine

N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine (PubChem CID 62110255) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
PubChem CID62110255
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
SMILESCOc1cccc(C(CNC(C)(C)C)OCC(F)(F)F)c1
InChIInChI=1S/C15H22F3NO2/c1-14(2,3)19-9-13(21-10-15(16,17)18)11-6-5-7-12(8-11)20-4/h5-8,13,19H,9-10H2,1-4H3
InChIKeyFEDPGIOTAZVUBI-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792850
N-[2-(3-bromophenyl)-2-(3,3,3-trifluoropropoxy)ethyl]-2-methylpropan-2-amine
CID 82962979
1-methoxy-3-(3,3,4,4,4-pentafluoro-1-methoxybutyl)benzene
CID 156765103
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907
2,2,2-trifluoroethyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 81373961
1-[2-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-3-methoxybenzene
CID 102722919
1-[2-bromo-1-(3,3,3-trifluoropropoxy)ethyl]-3-methoxybenzene
CID 82958918
N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 62110751
N-[2-fluoro-3-(3-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 107446727
2-(2,2-difluoroethoxy)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 82006979
N-[2-(3-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethyl]-2-methylpropan-2-amine
CID 62108475

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine (CID 62110255) is N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine is COc1cccc(C(CNC(C)(C)C)OCC(F)(F)F)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
The InChIKey is FEDPGIOTAZVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-14(2,3)19-9-13(21-10-15(16,17)18)11-6-5-7-12(8-11)20-4/h5-8,13,19H,9-10H2,1-4H3.
What are the key properties of N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine?
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62110255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).