1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine

C11H13F2N — CID 94558228

IUPAC1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c1-14-6-8-4-9(8)7-2-3-10(12)11(13)5-7/h2-3,5,8-9,14H,4,6H2,1H3/t8-,9-/m0/s1
InChIKeyXYVBZBFLBWPKQW-IUCAKERBSA-N
MW197.23 g/mol
LogP2.29
Rot. Bonds3

About 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine

1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558228) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558228
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2N/c1-14-6-8-4-9(8)7-2-3-10(12)11(13)5-7/h2-3,5,8-9,14H,4,6H2,1H3/t8-,9-/m0/s1
InChIKeyXYVBZBFLBWPKQW-IUCAKERBSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine (CID 94558228) is 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine is CNC[C@@H]1C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is XYVBZBFLBWPKQW-IUCAKERBSA-N. The full InChI is InChI=1S/C11H13F2N/c1-14-6-8-4-9(8)7-2-3-10(12)11(13)5-7/h2-3,5,8-9,14H,4,6H2,1H3/t8-,9-/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).