N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine

C11H13F2NO — CID 81268990

IUPACN-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cccc(F)c1OCCNC1CC1
InChIInChI=1S/C11H13F2NO/c12-9-2-1-3-10(13)11(9)15-7-6-14-8-4-5-8/h1-3,8,14H,4-7H2
InChIKeyQOYHNUCNDGXADS-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.10
Rot. Bonds5

About N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine

N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine (PubChem CID 81268990) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
PubChem CID81268990
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cccc(F)c1OCCNC1CC1
InChIInChI=1S/C11H13F2NO/c12-9-2-1-3-10(13)11(9)15-7-6-14-8-4-5-8/h1-3,8,14H,4-7H2
InChIKeyQOYHNUCNDGXADS-UHFFFAOYSA-N
XLogP2.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2,6-difluorophenoxy)propyl]cyclohexanamine
CID 81269341
N-[2-(2-chloro-6-fluorophenoxy)ethyl]oxan-4-amine
CID 83051103
N-[2-(2,6-dimethoxyphenoxy)ethyl]cyclopropanamine
CID 29015300
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[3-(2,6-difluorophenoxy)-2-methylpropyl]cyclopropanamine
CID 81269605
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-[(2-butoxy-3-fluorophenyl)methyl]cyclopropanamine
CID 112609819
N-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]cyclopentanamine
CID 115750537
4-[2-(2,6-dimethylphenoxy)ethylamino]cyclohexan-1-ol
CID 57393382
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
N-[2-(2,3,4,5,6-pentachlorophenoxy)ethyl]cyclopropanamine
CID 55195724

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine (CID 81268990) is N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine is Fc1cccc(F)c1OCCNC1CC1.
What is the InChIKey of N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine?
The InChIKey is QOYHNUCNDGXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-2-1-3-10(13)11(9)15-7-6-14-8-4-5-8/h1-3,8,14H,4-7H2.
What are the key properties of N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine?
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine has a molecular weight of 213.23 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 81268990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).