N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

C14H18F3NO — CID 103986937

IUPACN-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CC1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-18-13(7-10-5-6-19-9-10)11-3-2-4-12(8-11)14(15,16)17/h2-4,8,10,13,18H,5-7,9H2,1H3
InChIKeyFHOOGIXKANIUAS-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.39
Rot. Bonds4

About N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine

N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 103986937) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID103986937
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(CC1CCOC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3NO/c1-18-13(7-10-5-6-19-9-10)11-3-2-4-12(8-11)14(15,16)17/h2-4,8,10,13,18H,5-7,9H2,1H3
InChIKeyFHOOGIXKANIUAS-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 103987072
1-(3-cyclobutylphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 114604522
1-(3-ethoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 113362131
N-methyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103986918
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-(oxolan-3-yl)ethyl]hydrazine
CID 102759720
N-[3-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]-3-(oxolan-3-yl)propanamide
CID 126814716
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 63955363
1-(furan-3-yl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987114
1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 115704677
N-[oxan-3-yl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65332476

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 103986937) is N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is CNC(CC1CCOC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FHOOGIXKANIUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-13(7-10-5-6-19-9-10)11-3-2-4-12(8-11)14(15,16)17/h2-4,8,10,13,18H,5-7,9H2,1H3.
What are the key properties of N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 103986937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).