N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine

C16H15FINO — CID 43283686

IUPACN-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1Oc1cccc(I)c1
InChIInChI=1S/C16H15FINO/c17-15-8-11(10-19-13-5-6-13)4-7-16(15)20-14-3-1-2-12(18)9-14/h1-4,7-9,13,19H,5-6,10H2
InChIKeyZUCBKDUSEPPTDE-UHFFFAOYSA-N
MW383.20 g/mol
LogP4.47
Rot. Bonds5

About N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine (PubChem CID 43283686) has the molecular formula C16H15FINO and a molecular weight of 383.20 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
PubChem CID43283686
Molecular FormulaC16H15FINO
Molecular Weight383.20 g/mol
Exact Mass383.02
IUPAC NameN-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1Oc1cccc(I)c1
InChIInChI=1S/C16H15FINO/c17-15-8-11(10-19-13-5-6-13)4-7-16(15)20-14-3-1-2-12(18)9-14/h1-4,7-9,13,19H,5-6,10H2
InChIKeyZUCBKDUSEPPTDE-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.20
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]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-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689
N-[[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659574
N-[(3-iodophenyl)methyl]cyclopropanamine
CID 21107262
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 62072927
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine (CID 43283686) is N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)ccc1Oc1cccc(I)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine?
The InChIKey is ZUCBKDUSEPPTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FINO/c17-15-8-11(10-19-13-5-6-13)4-7-16(15)20-14-3-1-2-12(18)9-14/h1-4,7-9,13,19H,5-6,10H2.
What are the key properties of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine has a molecular weight of 383.20 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43283686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).