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

C15H20F3NO — CID 103987072

IUPACN-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)CC1CCOC1
InChIInChI=1S/C15H20F3NO/c1-19-14(9-12-5-6-20-10-12)8-11-3-2-4-13(7-11)15(16,17)18/h2-4,7,12,14,19H,5-6,8-10H2,1H3
InChIKeyOXDHPFLQUSRTIR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.26
Rot. Bonds5

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

N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 103987072) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID103987072
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)CC1CCOC1
InChIInChI=1S/C15H20F3NO/c1-19-14(9-12-5-6-20-10-12)8-11-3-2-4-13(7-11)15(16,17)18/h2-4,7,12,14,19H,5-6,8-10H2,1H3
InChIKeyOXDHPFLQUSRTIR-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362149
N-methyl-2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 103986937
1-(4-ethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362150
1-(3,5-dimethylphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 113362112
1-(4-iodophenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987071
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
1-(1,4-dioxan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65352414
[1-(3-methylphenyl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105266028
N-[2-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 103987462
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563
N-ethyl-1-(oxolan-3-yl)-3-phenylpropan-2-amine
CID 103987146

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 103987072) is N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is CNC(Cc1cccc(C(F)(F)F)c1)CC1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is OXDHPFLQUSRTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-19-14(9-12-5-6-20-10-12)8-11-3-2-4-13(7-11)15(16,17)18/h2-4,7,12,14,19H,5-6,8-10H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 287.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 103987072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).