N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine

C15H14ClFN2O — CID 64601004

IUPACN-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-11-6-13(9-18-8-11)20-15-4-1-10(5-14(15)17)7-19-12-2-3-12/h1,4-6,8-9,12,19H,2-3,7H2
InChIKeyINUYPOXXEFARQH-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.92
Rot. Bonds5

About N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine

N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine (PubChem CID 64601004) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
PubChem CID64601004
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC NameN-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C15H14ClFN2O/c16-11-6-13(9-18-8-11)20-15-4-1-10(5-14(15)17)7-19-12-2-3-12/h1,4-6,8-9,12,19H,2-3,7H2
InChIKeyINUYPOXXEFARQH-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[3-fluoro-4-(4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283164
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
N-[[3-fluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 62072927
N-[[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151397
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
N-[[3-chloro-4-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 81151000

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine (CID 64601004) is N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine is Fc1cc(CNC2CC2)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine?
The InChIKey is INUYPOXXEFARQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c16-11-6-13(9-18-8-11)20-15-4-1-10(5-14(15)17)7-19-12-2-3-12/h1,4-6,8-9,12,19H,2-3,7H2.
What are the key properties of N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine?
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine has a molecular weight of 292.74 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine is sourced from PubChem (CID 64601004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).