N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine

C14H13ClFN3O — CID 116689598

IUPACN-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESFc1c(Cl)cccc1Oc1ncc(CNC2CC2)cn1
InChIInChI=1S/C14H13ClFN3O/c15-11-2-1-3-12(13(11)16)20-14-18-7-9(8-19-14)6-17-10-4-5-10/h1-3,7-8,10,17H,4-6H2
InChIKeyMJXDJCLYHBCNKK-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.31
Rot. Bonds5

About N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine

N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine (PubChem CID 116689598) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
PubChem CID116689598
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC NameN-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
SMILESFc1c(Cl)cccc1Oc1ncc(CNC2CC2)cn1
InChIInChI=1S/C14H13ClFN3O/c15-11-2-1-3-12(13(11)16)20-14-18-7-9(8-19-14)6-17-10-4-5-10/h1-3,7-8,10,17H,4-6H2
InChIKeyMJXDJCLYHBCNKK-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]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-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[[2-(5-fluoro-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 102990027
N-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
N-[[2-chloro-6-(2-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43282911
N-[(3-chloro-2-fluorophenyl)methyl]cycloheptanamine
CID 79033184
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
N-[[2-(2-fluoro-3-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine
CID 107659620
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
N-[2-(3-chloro-2-fluorophenoxy)-3-methylbutyl]cyclopropanamine
CID 116690396

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine (CID 116689598) is N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine is Fc1c(Cl)cccc1Oc1ncc(CNC2CC2)cn1.
What is the InChIKey of N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
The InChIKey is MJXDJCLYHBCNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O/c15-11-2-1-3-12(13(11)16)20-14-18-7-9(8-19-14)6-17-10-4-5-10/h1-3,7-8,10,17H,4-6H2.
What are the key properties of N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine?
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine has a molecular weight of 293.73 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116689598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).