N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C15H20F3NO2 — CID 103546653

IUPACN-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-2-6-19-13(10-14-20-7-8-21-14)11-4-3-5-12(9-11)15(16,17)18/h3-5,9,13-14,19H,2,6-8,10H2,1H3
InChIKeyHLJORMGYKVUSJN-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine

N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 103546653) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID103546653
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO2/c1-2-6-19-13(10-14-20-7-8-21-14)11-4-3-5-12(9-11)15(16,17)18/h3-5,9,13-14,19H,2,6-8,10H2,1H3
InChIKeyHLJORMGYKVUSJN-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
N-[2-(1,3-dioxolan-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 103546676
N-[2-(2-methylpropylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64610296
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
N-[2-butan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64612803
N-[2-butylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64611916
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
N-[6-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850627
N-[2-(1,3-dioxolan-2-yl)-1-(6-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 103546727
N-[(5-methylfuran-3-yl)-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 115850651

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 103546653) is N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNC(CC1OCCO1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is HLJORMGYKVUSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-6-19-13(10-14-20-7-8-21-14)11-4-3-5-12(9-11)15(16,17)18/h3-5,9,13-14,19H,2,6-8,10H2,1H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 303.32 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 103546653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).