N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine

C15H21F4NO — CID 106706157

IUPACN-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(COCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C15H21F4NO/c1-14(2,3)20-8-11(9-21-10-15(17,18)19)12-6-4-5-7-13(12)16/h4-7,11,20H,8-10H2,1-3H3
InChIKeyYETIECWSZPIOMA-UHFFFAOYSA-N
MW307.33 g/mol
LogP3.88
Rot. Bonds6

About N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine

N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine (PubChem CID 106706157) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine
PubChem CID106706157
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC NameN-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(COCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C15H21F4NO/c1-14(2,3)20-8-11(9-21-10-15(17,18)19)12-6-4-5-7-13(12)16/h4-7,11,20H,8-10H2,1-3H3
InChIKeyYETIECWSZPIOMA-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706505
N-[2-(2-fluorophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63685998
3-ethoxy-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 103984843
N-[2-(2-fluorophenyl)-2-(3-methylbutoxy)ethyl]-2-methylpropan-2-amine
CID 62107937
N-[2-(2-fluorophenyl)-2-pentoxyethyl]-2-methylpropan-2-amine
CID 62109223
N-[2-cyclohexyloxy-2-(2-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 62106464
N-[2-(2-fluorophenyl)-2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 62108236
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55182098
2-(2,2-dimethylpropoxy)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 166717657
2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706506
3-(cyclopropylmethoxy)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 106930922

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine (CID 106706157) is N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(COCC(F)(F)F)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is YETIECWSZPIOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-14(2,3)20-8-11(9-21-10-15(17,18)19)12-6-4-5-7-13(12)16/h4-7,11,20H,8-10H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine?
N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 307.33 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 106706157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).