2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine

C14H18F3NO — CID 115592606

IUPAC2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCC(CNCc1ccccc1OC(F)(F)F)C1CC1
InChIInChI=1S/C14H18F3NO/c1-10(11-6-7-11)8-18-9-12-4-2-3-5-13(12)19-14(15,16)17/h2-5,10-11,18H,6-9H2,1H3
InChIKeyODUSJPGTBZBVBN-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.72
Rot. Bonds6

About 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine

2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (PubChem CID 115592606) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
PubChem CID115592606
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
SMILESCC(CNCc1ccccc1OC(F)(F)F)C1CC1
InChIInChI=1S/C14H18F3NO/c1-10(11-6-7-11)8-18-9-12-4-2-3-5-13(12)19-14(15,16)17/h2-5,10-11,18H,6-9H2,1H3
InChIKeyODUSJPGTBZBVBN-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
3-[[2-(trifluoromethoxy)phenyl]methylamino]propane-1,2-diol
CID 60703872
3-propan-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28726645
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
1-(2-methylcyclohexyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453619
2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
CID 61221925
3-cyclopentyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 106008246
2-hydroxy-3-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 106170862
2-(1,3-thiazol-2-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 104588599

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine (CID 115592606) is 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is CC(CNCc1ccccc1OC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is ODUSJPGTBZBVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(11-6-7-11)8-18-9-12-4-2-3-5-13(12)19-14(15,16)17/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine?
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 115592606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).