1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine

C12H16FNSe — CID 177366300

IUPAC1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc(F)ccc1[Se]C
InChIInChI=1S/C12H16FNSe/c1-14-7-8-5-10(8)11-6-9(13)3-4-12(11)15-2/h3-4,6,8,10,14H,5,7H2,1-2H3
InChIKeyCCAHEYTXNFBOBL-UHFFFAOYSA-N
MW272.22 g/mol
LogP1.53
Rot. Bonds4

About 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine

1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 177366300) has the molecular formula C12H16FNSe and a molecular weight of 272.22 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine
PubChem CID177366300
Molecular FormulaC12H16FNSe
Molecular Weight272.22 g/mol
Exact Mass273.04
IUPAC Name1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc(F)ccc1[Se]C
InChIInChI=1S/C12H16FNSe/c1-14-7-8-5-10(8)11-6-9(13)3-4-12(11)15-2/h3-4,6,8,10,14H,5,7H2,1-2H3
InChIKeyCCAHEYTXNFBOBL-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine (CID 177366300) is 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine is CNCC1CC1c1cc(F)ccc1[Se]C.
What is the InChIKey of 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is CCAHEYTXNFBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNSe/c1-14-7-8-5-10(8)11-6-9(13)3-4-12(11)15-2/h3-4,6,8,10,14H,5,7H2,1-2H3.
What are the key properties of 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine?
1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 272.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 177366300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).