N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

C15H14Cl2N2O — CID 114857447

IUPACN-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESClc1cncc(Oc2ccc(Cl)cc2CNC2CC2)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-1-4-15(10(5-11)7-19-13-2-3-13)20-14-6-12(17)8-18-9-14/h1,4-6,8-9,13,19H,2-3,7H2
InChIKeyMKXXYHYZRSDRPQ-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.43
Rot. Bonds5

About N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (PubChem CID 114857447) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
PubChem CID114857447
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESClc1cncc(Oc2ccc(Cl)cc2CNC2CC2)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-1-4-15(10(5-11)7-19-13-2-3-13)20-14-6-12(17)8-18-9-14/h1,4-6,8-9,13,19H,2-3,7H2
InChIKeyMKXXYHYZRSDRPQ-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]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-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454
N-[[5-chloro-2-(4-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856120
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
[3-[4-chloro-2-[(cyclopropylamino)methyl]phenoxy]phenyl]methanol
CID 114856939
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[5-chloro-2-(2-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 114856357
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (CID 114857447) is N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is Clc1cncc(Oc2ccc(Cl)cc2CNC2CC2)c1.
What is the InChIKey of N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The InChIKey is MKXXYHYZRSDRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-11-1-4-15(10(5-11)7-19-13-2-3-13)20-14-6-12(17)8-18-9-14/h1,4-6,8-9,13,19H,2-3,7H2.
What are the key properties of N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine has a molecular weight of 309.20 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114857447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).