N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine

C13H18F3NO — CID 62456493

IUPACN-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCC(C)NCC(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-9(2)17-8-10(3)18-12-6-4-5-11(7-12)13(14,15)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyMBHIVGCBZXOETK-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.47
Rot. Bonds5

About N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine

N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 62456493) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID62456493
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC NameN-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCC(C)NCC(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NO/c1-9(2)17-8-10(3)18-12-6-4-5-11(7-12)13(14,15)16/h4-7,9-10,17H,8H2,1-3H3
InChIKeyMBHIVGCBZXOETK-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
2-(3-ethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 62440452
2-[3-(methoxymethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 63986199
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
2-(3-tert-butylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55196778
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine (CID 62456493) is N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine is CC(C)NCC(C)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is MBHIVGCBZXOETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(2)17-8-10(3)18-12-6-4-5-11(7-12)13(14,15)16/h4-7,9-10,17H,8H2,1-3H3.
What are the key properties of N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 62456493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).