2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine

C13H16F3NO — CID 61221925

IUPAC2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)CC1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(2)7-11(12)17-8-9-5-3-4-6-10(9)18-13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyNXYCMPNOXBTOGW-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.47
Rot. Bonds4

About 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine

2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine (PubChem CID 61221925) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
PubChem CID61221925
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
SMILESCC1(C)CC1NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-12(2)7-11(12)17-8-9-5-3-4-6-10(9)18-13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyNXYCMPNOXBTOGW-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
N-[[2-(trifluoromethoxy)phenyl]methyl]hydroxylamine
CID 82684299
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115708068
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 82945948
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
2,3,3-trimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83142342
N-[[2-(trifluoromethoxy)phenyl]methyl]oxan-3-amine
CID 63360178
N-[[2-(trifluoromethoxy)phenyl]methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601425
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
N',N'-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 16775609

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine (CID 61221925) is 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine is CC1(C)CC1NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is NXYCMPNOXBTOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2)7-11(12)17-8-9-5-3-4-6-10(9)18-13(14,15)16/h3-6,11,17H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine?
2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 61221925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).