N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

C15H14Cl2N2O — CID 114857443

IUPACN-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESClc1cncc(Oc2cc(Cl)ccc2CNC2CC2)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-2-1-10(7-19-13-3-4-13)15(6-11)20-14-5-12(17)8-18-9-14/h1-2,5-6,8-9,13,19H,3-4,7H2
InChIKeyGLRGHPHQGLYXDA-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.43
Rot. Bonds5

About N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine

N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (PubChem CID 114857443) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
PubChem CID114857443
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
SMILESClc1cncc(Oc2cc(Cl)ccc2CNC2CC2)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-2-1-10(7-19-13-3-4-13)15(6-11)20-14-5-12(17)8-18-9-14/h1-2,5-6,8-9,13,19H,3-4,7H2
InChIKeyGLRGHPHQGLYXDA-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

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Related Compounds

N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037
N-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]methyl]cyclopropanamine
CID 64601004
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075410
N-[[2-[(5-chloro-3-pyridinyl)oxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 64602366
N-[[2-[(5-bromo-3-pyridinyl)oxy]-4-chlorophenyl]methyl]propan-2-amine
CID 114857427

Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine (CID 114857443) is N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is Clc1cncc(Oc2cc(Cl)ccc2CNC2CC2)c1.
What is the InChIKey of N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
The InChIKey is GLRGHPHQGLYXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-11-2-1-10(7-19-13-3-4-13)15(6-11)20-14-5-12(17)8-18-9-14/h1-2,5-6,8-9,13,19H,3-4,7H2.
What are the key properties of N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine?
N-[[4-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-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 114857443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).