N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine

C12H15F2NO — CID 62783803

IUPACN-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
SMILESCC(CNC1CC1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-8(7-15-11-2-3-11)16-12-5-9(13)4-10(14)6-12/h4-6,8,11,15H,2-3,7H2,1H3
InChIKeyVHEIYKFIACCYPK-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.48
Rot. Bonds5

About N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine

N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine (PubChem CID 62783803) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
PubChem CID62783803
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine
SMILESCC(CNC1CC1)Oc1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-8(7-15-11-2-3-11)16-12-5-9(13)4-10(14)6-12/h4-6,8,11,15H,2-3,7H2,1H3
InChIKeyVHEIYKFIACCYPK-UHFFFAOYSA-N
XLogP2.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-fluoro-4-methylphenoxy)propyl]cyclopropanamine
CID 107170738
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[2-(3,5-difluorophenyl)-3-methylpentyl]cyclopropanamine
CID 79443918
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
2-(3,5-difluorophenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 62784900
N-[2-(3-bromo-5-fluorophenoxy)-3-methoxypropyl]cyclopropanamine
CID 103228884
N-[2-(3,5-difluorophenoxy)propyl]pentan-2-amine
CID 62785273
N-[2-(2,4-difluorophenoxy)propyl]cyclohexanamine
CID 62571941
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
2-(cyclopropylamino)-4-(3,5-difluorophenoxy)-2-methylpentanamide
CID 64720260

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine?
The IUPAC name of N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine (CID 62783803) is N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine is CC(CNC1CC1)Oc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine?
The InChIKey is VHEIYKFIACCYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-8(7-15-11-2-3-11)16-12-5-9(13)4-10(14)6-12/h4-6,8,11,15H,2-3,7H2,1H3.
What are the key properties of N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine?
N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine has a molecular weight of 227.25 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenoxy)propyl]cyclopropanamine is sourced from PubChem (CID 62783803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).