N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine

C15H20F3NO — CID 82957812

IUPACN-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
SMILESCc1ccccc1C(CNC1CC1)OCCC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-11-4-2-3-5-13(11)14(10-19-12-6-7-12)20-9-8-15(16,17)18/h2-5,12,14,19H,6-10H2,1H3
InChIKeyNQEJNRBQGMJTER-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.76
Rot. Bonds7

About N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine

N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine (PubChem CID 82957812) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
PubChem CID82957812
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
SMILESCc1ccccc1C(CNC1CC1)OCCC(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-11-4-2-3-5-13(11)14(10-19-12-6-7-12)20-9-8-15(16,17)18/h2-5,12,14,19H,6-10H2,1H3
InChIKeyNQEJNRBQGMJTER-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]cyclopropanamine
CID 82783287
N-[2-phenyl-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82959482
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105981
1-[2-bromo-1-(4,4,4-trifluorobutoxy)ethyl]-2-methylbenzene
CID 82792149
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 66227133
2-(3-methoxy-3-methylbutoxy)-N-methyl-2-(2-methylphenyl)ethanamine
CID 106667108
N-[2-(2-cyclopropylethoxy)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 106204944
N-ethyl-2-(3-methoxy-3-methylbutoxy)-2-(2-methylphenyl)ethanamine
CID 106667087
N-[2-(3-methoxy-3-methylbutoxy)-2-(4-methylphenyl)ethyl]cyclopropanamine
CID 106667054
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine (CID 82957812) is N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine is Cc1ccccc1C(CNC1CC1)OCCC(F)(F)F.
What is the InChIKey of N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine?
The InChIKey is NQEJNRBQGMJTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11-4-2-3-5-13(11)14(10-19-12-6-7-12)20-9-8-15(16,17)18/h2-5,12,14,19H,6-10H2,1H3.
What are the key properties of N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine?
N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine has a molecular weight of 287.32 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 82957812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).