[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine

C12H15ClFNO — CID 122442261

IUPAC[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
SMILESNCC1CC1c1cc(Cl)ccc1OCCF
InChIInChI=1S/C12H15ClFNO/c13-9-1-2-12(16-4-3-14)11(6-9)10-5-8(10)7-15/h1-2,6,8,10H,3-5,7,15H2
InChIKeyJTPWNGVIUSRWDW-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.75
Rot. Bonds5

About [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine

[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine (PubChem CID 122442261) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
PubChem CID122442261
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine
SMILESNCC1CC1c1cc(Cl)ccc1OCCF
InChIInChI=1S/C12H15ClFNO/c13-9-1-2-12(16-4-3-14)11(6-9)10-5-8(10)7-15/h1-2,6,8,10H,3-5,7,15H2
InChIKeyJTPWNGVIUSRWDW-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
The IUPAC name of [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine (CID 122442261) is [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine is NCC1CC1c1cc(Cl)ccc1OCCF.
What is the InChIKey of [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
The InChIKey is JTPWNGVIUSRWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-9-1-2-12(16-4-3-14)11(6-9)10-5-8(10)7-15/h1-2,6,8,10H,3-5,7,15H2.
What are the key properties of [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine?
[2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine has a molecular weight of 243.71 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-chloro-2-(2-fluoroethoxy)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 122442261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).