N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine

C11H14FNO — CID 29015732

IUPACN-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cccc(OCCNC2CC2)c1
InChIInChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)14-7-6-13-10-4-5-10/h1-3,8,10,13H,4-7H2
InChIKeyVNJDLCYSKXRCGL-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine

N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine (PubChem CID 29015732) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
PubChem CID29015732
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
SMILESFc1cccc(OCCNC2CC2)c1
InChIInChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)14-7-6-13-10-4-5-10/h1-3,8,10,13H,4-7H2
InChIKeyVNJDLCYSKXRCGL-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.96
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-(3-fluorophenoxy)propyl]cyclopentanamine
CID 62571696
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[[4-[(3-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62459565
N-[2-(3,5-difluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62784905
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62584366
N-[2-(4-bromo-3-fluorophenoxy)ethyl]cyclopropanamine
CID 65201328
N-[2-(3-chloro-4-fluorophenoxy)ethyl]cyclopropanamine
CID 62598575
N-[2-(2,6-difluorophenoxy)ethyl]cyclopropanamine
CID 81268990
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]oxan-4-amine
CID 63099009
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660
N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine (CID 29015732) is N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine is Fc1cccc(OCCNC2CC2)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine?
The InChIKey is VNJDLCYSKXRCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-2-1-3-11(8-9)14-7-6-13-10-4-5-10/h1-3,8,10,13H,4-7H2.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine?
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine has a molecular weight of 195.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine is sourced from PubChem (CID 29015732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).