1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine

C12H14F3NO — CID 84737314

IUPAC1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine
SMILESCOC(c1ccc(C2(N)CC2)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-10(12(13,14)15)8-2-4-9(5-3-8)11(16)6-7-11/h2-5,10H,6-7,16H2,1H3
InChIKeySMFUACABXSRHCC-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.88
Rot. Bonds3

About 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine

1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine (PubChem CID 84737314) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine
PubChem CID84737314
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine
SMILESCOC(c1ccc(C2(N)CC2)cc1)C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-10(12(13,14)15)8-2-4-9(5-3-8)11(16)6-7-11/h2-5,10H,6-7,16H2,1H3
InChIKeySMFUACABXSRHCC-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-((2,2,2-Trifluoroethoxy)methyl)phenyl)methanamine
CID 16227394
1-(4-Methoxymethylphenyl)ethylamine
CID 591393
2,2,2-Trifluoro-1-methoxy-1-phenylethanamine
CID 12164756
2-Methoxy-2-[4-(trifluoromethyl)phenyl]ethan-1-amine
CID 53276180
2-[3-(Methoxymethyl)phenyl]propan-2-amine
CID 117278171
2-[4-(Methoxymethyl)phenyl]propan-2-amine
CID 117278172
2-[4-[3-(Trifluoromethyl)-3H-diazirine-3-yl]phenyl]oxirane
CID 11629980
1-[3-Fluoro-4-(methoxymethyl)phenyl]butan-1-amine
CID 17934463
1-Phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 57100097
(1R)-1-[3-fluoro-4-(methoxymethyl)phenyl]ethanamine
CID 57658921
CID 58450215
CID 58450215
2,2,2-Trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine
CID 58611161

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine (CID 84737314) is 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine is COC(c1ccc(C2(N)CC2)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
The InChIKey is SMFUACABXSRHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-10(12(13,14)15)8-2-4-9(5-3-8)11(16)6-7-11/h2-5,10H,6-7,16H2,1H3.
What are the key properties of 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine?
1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2,2-trifluoro-1-methoxyethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 84737314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).