N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C15H20F3NO2 — CID 103546671

IUPACN-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-7-19-13(10-14-20-8-9-21-14)11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,19H,2,7-10H2,1H3
InChIKeyWRJDCNURLXRDHR-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine

N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 103546671) 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-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID103546671
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1OCCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-2-7-19-13(10-14-20-8-9-21-14)11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,19H,2,7-10H2,1H3
InChIKeyWRJDCNURLXRDHR-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

2,2-diethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 71521606
(7R,9S)-9-phenyl-7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12170411
(7R,9S)-9-(4-fluorophenyl)-7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12170412
(1R,2S)-N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(trifluoromethyl)but-3-en-1-amine
CID 11616876
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4,4-trifluoro-2-methylbut-2-en-1-amine
CID 135018026
2-[2-(1,3-Dioxolan-2-yl)ethyl]-4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridine
CID 67869799
2-[2-(1,3-Dioxolan-2-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine
CID 67869990
7-[(3,4-Difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 85739830
2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 89022522
7-[(4-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 89880705
7-[(2,4-Difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 89880718
4-Methoxy-2-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 105505573

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 103546671) is N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNC(CC1OCCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is WRJDCNURLXRDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-2-7-19-13(10-14-20-8-9-21-14)11-3-5-12(6-4-11)15(16,17)18/h3-6,13-14,19H,2,7-10H2,1H3.
What are the key properties of N-[2-(1,3-dioxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[2-(1,3-dioxolan-2-yl)-1-[4-(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-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 103546671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).