2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine

C14H20F3NO — CID 55072913

IUPAC2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
SMILESCC(C)CNCC(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-10(2)8-18-9-11(3)19-13-6-4-12(5-7-13)14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySEDUGJAIYBUMMG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.72
Rot. Bonds6

About 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine

2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine (PubChem CID 55072913) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
PubChem CID55072913
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
SMILESCC(C)CNCC(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-10(2)8-18-9-11(3)19-13-6-4-12(5-7-13)14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeySEDUGJAIYBUMMG-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 63491943
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62444619
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-prop-2-ynyl-2-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 62571922
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
N-[2-(3-ethoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 55073189
4-methyl-2-[4-(trifluoromethyl)phenoxy]pentanoic acid
CID 114282426

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine (CID 55072913) is 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine is CC(C)CNCC(C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine?
The InChIKey is SEDUGJAIYBUMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(2)8-18-9-11(3)19-13-6-4-12(5-7-13)14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine?
2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine is sourced from PubChem (CID 55072913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).