N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine

C15H14Cl2N2O — CID 105075410

IUPACN-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2cnccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-1-4-14(13(17)7-11)20-15-9-18-6-5-10(15)8-19-12-2-3-12/h1,4-7,9,12,19H,2-3,8H2
InChIKeyQOQRYNYGYSJUFX-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.43
Rot. Bonds5

About N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105075410) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105075410
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC NameN-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESClc1ccc(Oc2cnccc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c16-11-1-4-14(13(17)7-11)20-15-9-18-6-5-10(15)8-19-12-2-3-12/h1,4-7,9,12,19H,2-3,8H2
InChIKeyQOQRYNYGYSJUFX-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-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075129
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[4-bromo-2-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283271
N-[[4-(2,4-dichlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81254061
N-[[3-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075531
N-[[3-(2-bromo-4-methoxyphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075967
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
N-[[4-chloro-2-(2,5-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114855307
N-[[3-(2,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 63941329
N-[[3-(cyclopropylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075090
N-[(3-prop-2-enoxy-4-pyridinyl)methyl]cyclopropanamine
CID 105074850
N-[[4-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857443

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 105075410) is N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is Clc1ccc(Oc2cnccc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is QOQRYNYGYSJUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c16-11-1-4-14(13(17)7-11)20-15-9-18-6-5-10(15)8-19-12-2-3-12/h1,4-7,9,12,19H,2-3,8H2.
What are the key properties of N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]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-[[3-(2,4-dichlorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105075410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).