[2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine

C12H16FN — CID 114872926

IUPAC[2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine
SMILESCCC1(c2cccc(F)c2)CC1CN
InChIInChI=1S/C12H16FN/c1-2-12(7-10(12)8-14)9-4-3-5-11(13)6-9/h3-6,10H,2,7-8,14H2,1H3
InChIKeyOPOIBBDJOSPMFK-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.45
Rot. Bonds3

About [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine

[2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine (PubChem CID 114872926) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine
PubChem CID114872926
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name[2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine
SMILESCCC1(c2cccc(F)c2)CC1CN
InChIInChI=1S/C12H16FN/c1-2-12(7-10(12)8-14)9-4-3-5-11(13)6-9/h3-6,10H,2,7-8,14H2,1H3
InChIKeyOPOIBBDJOSPMFK-UHFFFAOYSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine?
The IUPAC name of [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine (CID 114872926) is [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine?
The canonical SMILES for [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine is CCC1(c2cccc(F)c2)CC1CN.
What is the InChIKey of [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine?
The InChIKey is OPOIBBDJOSPMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-2-12(7-10(12)8-14)9-4-3-5-11(13)6-9/h3-6,10H,2,7-8,14H2,1H3.
What are the key properties of [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine?
[2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine has a molecular weight of 193.27 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-2-(3-fluorophenyl)cyclopropyl]methanamine is sourced from PubChem (CID 114872926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).