N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

C16H22F3NO — CID 103216465

IUPACN-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CC1c1ccccc1
InChIInChI=1S/C16H22F3NO/c1-2-8-20-15(10-21-11-16(17,18)19)14-9-13(14)12-6-4-3-5-7-12/h3-7,13-15,20H,2,8-11H2,1H3
InChIKeyBBLDOIOAIUTDJC-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.74
Rot. Bonds8

About N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine

N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (PubChem CID 103216465) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
PubChem CID103216465
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC NameN-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)F)C1CC1c1ccccc1
InChIInChI=1S/C16H22F3NO/c1-2-8-20-15(10-21-11-16(17,18)19)14-9-13(14)12-6-4-3-5-7-12/h3-7,13-15,20H,2,8-11H2,1H3
InChIKeyBBLDOIOAIUTDJC-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-phenylcyclopropyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148555
1-(2-phenylcyclopropyl)-N-propyloctan-1-amine
CID 115832271
N-ethyl-3,3,3-trifluoro-1-(2-phenylcyclopropyl)propan-1-amine
CID 116517402
[2-ethoxy-1-(2-phenylcyclopropyl)ethyl]hydrazine
CID 105235457
N-ethyl-4,4,4-trifluoro-1-(2-phenylcyclopropyl)butan-1-amine
CID 116517759
N-ethyl-2-phenoxy-1-(2-phenylcyclopropyl)ethanamine
CID 116517454
1-phenyl-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214527
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanamine
CID 105188962
N-[2,2-diethoxy-1-(2-phenylcyclopropyl)ethyl]propan-1-amine
CID 116517734
N-ethyl-5,5,5-trifluoro-1-(2-phenylcyclopropyl)pentan-1-amine
CID 105024327
N-[3-bicyclo[3.1.0]hexanyl-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 105052478
N-[(5-fluoro-3-pyridinyl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 115804971

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine (CID 103216465) is N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)F)C1CC1c1ccccc1.
What is the InChIKey of N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
The InChIKey is BBLDOIOAIUTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-8-20-15(10-21-11-16(17,18)19)14-9-13(14)12-6-4-3-5-7-12/h3-7,13-15,20H,2,8-11H2,1H3.
What are the key properties of N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine?
N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine has a molecular weight of 301.35 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylcyclopropyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103216465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).