N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine

C14H20F3NO2 — CID 115494781

IUPACN-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-11(18-2)9-12-3-5-13(6-4-12)20-8-7-19-10-14(15,16)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyACOXJFCQBSIQIB-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.79
Rot. Bonds8

About N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine

N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine (PubChem CID 115494781) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
PubChem CID115494781
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO2/c1-11(18-2)9-12-3-5-13(6-4-12)20-8-7-19-10-14(15,16)17/h3-6,11,18H,7-10H2,1-2H3
InChIKeyACOXJFCQBSIQIB-UHFFFAOYSA-N
XLogP2.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 115494634
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880
N-methyl-4-[4-(2,2,2-trifluoroethoxymethoxy)phenyl]butan-2-amine
CID 106704557
2-methyl-1-[4-[2-(methylamino)propyl]phenoxy]propan-2-ol
CID 115494621
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726402
N-ethyl-1-[4-(2-propoxyethoxy)phenyl]propan-2-amine
CID 106450535
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
CID 113322961
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494771
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871
1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine (CID 115494781) is N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine is CNC(C)Cc1ccc(OCCOCC(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine?
The InChIKey is ACOXJFCQBSIQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-11(18-2)9-12-3-5-13(6-4-12)20-8-7-19-10-14(15,16)17/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine?
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine has a molecular weight of 291.31 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115494781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).