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

C16H22F3NO — CID 103987462

IUPACN-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-2-7-20-15(9-12-6-8-21-11-12)13-4-3-5-14(10-13)16(17,18)19/h3-5,10,12,15,20H,2,6-9,11H2,1H3
InChIKeyHJYGXYRZNSQIBY-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.17
Rot. Bonds6

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

N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 103987462) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID103987462
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO/c1-2-7-20-15(9-12-6-8-21-11-12)13-4-3-5-14(10-13)16(17,18)19/h3-5,10,12,15,20H,2,6-9,11H2,1H3
InChIKeyHJYGXYRZNSQIBY-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
N-[2-(oxolan-3-yl)-1-(3-propylphenyl)ethyl]propan-1-amine
CID 116545062
N-[2-(1,3-dioxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103546653
N-[2-(oxolan-3-yl)-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 103987493
N-[1-(4-ethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987410
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
N-[1-(2,5-dimethylphenyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987411
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79178039
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 103987462) is N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CCCNC(CC1CCOC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is HJYGXYRZNSQIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-7-20-15(9-12-6-8-21-11-12)13-4-3-5-14(10-13)16(17,18)19/h3-5,10,12,15,20H,2,6-9,11H2,1H3.
What are the key properties of N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 103987462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).