1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine

C11H12F3NO — CID 84794185

IUPAC1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCOc1cc(C(F)(F)F)ccc1C1(N)CC1
InChIInChI=1S/C11H12F3NO/c1-16-9-6-7(11(12,13)14)2-3-8(9)10(15)4-5-10/h2-3,6H,4-5,15H2,1H3
InChIKeyOJCGDDMWVBZYMC-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.66
Rot. Bonds2

About 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine

1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 84794185) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID84794185
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCOc1cc(C(F)(F)F)ccc1C1(N)CC1
InChIInChI=1S/C11H12F3NO/c1-16-9-6-7(11(12,13)14)2-3-8(9)10(15)4-5-10/h2-3,6H,4-5,15H2,1H3
InChIKeyOJCGDDMWVBZYMC-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine (CID 84794185) is 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine is COc1cc(C(F)(F)F)ccc1C1(N)CC1.
What is the InChIKey of 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is OJCGDDMWVBZYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-9-6-7(11(12,13)14)2-3-8(9)10(15)4-5-10/h2-3,6H,4-5,15H2,1H3.
What are the key properties of 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine?
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84794185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).