2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride

C13H19ClFNO — CID 141455426

IUPAC2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCC(C)COc1ccc(C2CC2N)cc1F.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-8(2)7-16-13-4-3-9(5-11(13)14)10-6-12(10)15;/h3-5,8,10,12H,6-7,15H2,1-2H3;1H
InChIKeyOPSCSSOPVMDPTI-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.10
Rot. Bonds4

About 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride

2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride (PubChem CID 141455426) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
PubChem CID141455426
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride
SMILESCC(C)COc1ccc(C2CC2N)cc1F.Cl
InChIInChI=1S/C13H18FNO.ClH/c1-8(2)7-16-13-4-3-9(5-11(13)14)10-6-12(10)15;/h3-5,8,10,12H,6-7,15H2,1-2H3;1H
InChIKeyOPSCSSOPVMDPTI-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride (CID 141455426) is 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride is CC(C)COc1ccc(C2CC2N)cc1F.Cl.
What is the InChIKey of 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride?
The InChIKey is OPSCSSOPVMDPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c1-8(2)7-16-13-4-3-9(5-11(13)14)10-6-12(10)15;/h3-5,8,10,12H,6-7,15H2,1-2H3;1H.
What are the key properties of 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride?
2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methylpropoxy)phenyl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 141455426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).