2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine

C18H19F2NO — CID 56673396

IUPAC2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
SMILESCCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
InChIInChI=1S/C18H19F2NO/c1-2-11-4-3-5-12(6-11)10-22-18-15(14-9-17(14)21)7-13(19)8-16(18)20/h3-8,14,17H,2,9-10,21H2,1H3
InChIKeyVJXODNPSRINKCE-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.92
Rot. Bonds5

About 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine

2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine (PubChem CID 56673396) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
PubChem CID56673396
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine
SMILESCCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1
InChIInChI=1S/C18H19F2NO/c1-2-11-4-3-5-12(6-11)10-22-18-15(14-9-17(14)21)7-13(19)8-16(18)20/h3-8,14,17H,2,9-10,21H2,1H3
InChIKeyVJXODNPSRINKCE-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
The IUPAC name of 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine (CID 56673396) is 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
The canonical SMILES for 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine is CCc1cccc(COc2c(F)cc(F)cc2C2CC2N)c1.
What is the InChIKey of 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
The InChIKey is VJXODNPSRINKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-2-11-4-3-5-12(6-11)10-22-18-15(14-9-17(14)21)7-13(19)8-16(18)20/h3-8,14,17H,2,9-10,21H2,1H3.
What are the key properties of 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine?
2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine has a molecular weight of 303.35 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethylphenyl)methoxy]-3,5-difluorophenyl]cyclopropan-1-amine is sourced from PubChem (CID 56673396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).