N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine

C15H22F3NO2 — CID 103227736

IUPACN-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-14(2,3)19-9-13(10-20-4)21-12-7-5-11(6-8-12)15(16,17)18/h5-8,13,19H,9-10H2,1-4H3
InChIKeySQTOENYLAZFAIM-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.49
Rot. Bonds6

About N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine

N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine (PubChem CID 103227736) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
PubChem CID103227736
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
SMILESCOCC(CNC(C)(C)C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO2/c1-14(2,3)19-9-13(10-20-4)21-12-7-5-11(6-8-12)15(16,17)18/h5-8,13,19H,9-10H2,1-4H3
InChIKeySQTOENYLAZFAIM-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2-phenoxypropyl)-2-methylpropan-2-amine
CID 103228281
N-[2-(3-fluoro-4-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 107170842
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
N-(3-methoxy-2-pyridin-3-yloxypropyl)-2-methylpropan-2-amine
CID 103228028
N-[3-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-2-methylpropan-2-amine
CID 103228618
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
CID 167341767
N-[3-methoxy-2-(2-propan-2-ylphenoxy)propyl]-2-methylpropan-2-amine
CID 103228403
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-[2-(2-chloro-5-methylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228482
2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine (CID 103227736) is N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine is COCC(CNC(C)(C)C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is SQTOENYLAZFAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-14(2,3)19-9-13(10-20-4)21-12-7-5-11(6-8-12)15(16,17)18/h5-8,13,19H,9-10H2,1-4H3.
What are the key properties of N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine?
N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 305.34 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103227736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).