N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine

C20H24F3NO — CID 19025855

IUPACN-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine
SMILESCCCCNCCC(Oc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C20H24F3NO/c1-2-3-14-24-15-13-18(16-9-5-4-6-10-16)25-19-12-8-7-11-17(19)20(21,22)23/h4-12,18,24H,2-3,13-15H2,1H3
InChIKeyLMINKFGTSVXTEB-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.61
Rot. Bonds9

About N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine

N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine (PubChem CID 19025855) has the molecular formula C20H24F3NO and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine
PubChem CID19025855
Molecular FormulaC20H24F3NO
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine
SMILESCCCCNCCC(Oc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C20H24F3NO/c1-2-3-14-24-15-13-18(16-9-5-4-6-10-16)25-19-12-8-7-11-17(19)20(21,22)23/h4-12,18,24H,2-3,13-15H2,1H3
InChIKeyLMINKFGTSVXTEB-UHFFFAOYSA-N
XLogP5.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-1-phenylpropoxy)-2-(trifluoromethyl)benzene
CID 14519553
3-[5-chloro-2-(trifluoromethyl)phenoxy]-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 22489955
1-(trifluoromethyl)-2-undecan-2-yloxybenzene
CID 150002093
1-nonan-2-yloxy-2-(trifluoromethyl)benzene
CID 130445178
N-ethyl-2-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 83046654
(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
CID 11565843
N-[2-[2-(trifluoromethyl)phenoxy]ethyl]propan-1-amine
CID 13344556
N-methyl-4-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451276
2-(1-phenylpentoxy)phenol
CID 67179241
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 62570990
N-(3,3-diphenylpropyl)octadecan-1-amine
CID 57060547
3-(2-bromophenoxy)-N-ethyl-3-phenylpropan-1-amine;formic acid
CID 67845393

Frequently Asked Questions

What is the IUPAC name of N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine?
The IUPAC name of N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine (CID 19025855) is N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine.
What is the SMILES notation for N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine?
The canonical SMILES for N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine is CCCCNCCC(Oc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine?
The InChIKey is LMINKFGTSVXTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO/c1-2-3-14-24-15-13-18(16-9-5-4-6-10-16)25-19-12-8-7-11-17(19)20(21,22)23/h4-12,18,24H,2-3,13-15H2,1H3.
What are the key properties of N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine?
N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine has a molecular weight of 351.41 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-phenyl-3-[2-(trifluoromethyl)phenoxy]propyl]butan-1-amine is sourced from PubChem (CID 19025855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).