3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine

C16H24F3NO — CID 63491943

IUPAC3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCC(C)CNCC(Oc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C16H24F3NO/c1-11(2)9-20-10-15(12(3)4)21-14-7-5-13(6-8-14)16(17,18)19/h5-8,11-12,15,20H,9-10H2,1-4H3
InChIKeyASJJMCVIXNNJSG-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.35
Rot. Bonds7

About 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine

3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine (PubChem CID 63491943) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
PubChem CID63491943
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCC(C)CNCC(Oc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C16H24F3NO/c1-11(2)9-20-10-15(12(3)4)21-14-7-5-13(6-8-14)16(17,18)19/h5-8,11-12,15,20H,9-10H2,1-4H3
InChIKeyASJJMCVIXNNJSG-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62441123
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62444619
N-[2-(4-tert-butylphenoxy)propyl]-2-methylpropan-1-amine
CID 63496080
2-(3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63496809
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
N-prop-2-ynyl-2-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 62571922
2-(4-chloro-3-ethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63497376
2-(4-bromo-3,5-dimethylphenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 107726433
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
2-(2,3-difluorophenoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63037166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine (CID 63491943) is 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine is CC(C)CNCC(Oc1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
The InChIKey is ASJJMCVIXNNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-11(2)9-20-10-15(12(3)4)21-14-7-5-13(6-8-14)16(17,18)19/h5-8,11-12,15,20H,9-10H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 63491943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).