N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

C16H17ClN2O — CID 79783243

IUPACN-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESClc1ccccc1COc1ccc(CNC2CC2)nc1
InChIInChI=1S/C16H17ClN2O/c17-16-4-2-1-3-12(16)11-20-15-8-7-14(19-10-15)9-18-13-5-6-13/h1-4,7-8,10,13,18H,5-6,9,11H2
InChIKeyNILVQCFFTKHFLJ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.57
Rot. Bonds6

About N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine

N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 79783243) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID79783243
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
SMILESClc1ccccc1COc1ccc(CNC2CC2)nc1
InChIInChI=1S/C16H17ClN2O/c17-16-4-2-1-3-12(16)11-20-15-8-7-14(19-10-15)9-18-13-5-6-13/h1-4,7-8,10,13,18H,5-6,9,11H2
InChIKeyNILVQCFFTKHFLJ-UHFFFAOYSA-N
XLogP3.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]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-[[5-[(5-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 103046450
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 4715574
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
5-[(2-chlorophenyl)methoxy]-2-(nitrosomethyl)pyridine
CID 123537932
N-[[5-(1,3-thiazol-4-ylmethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79781522
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
N-[[4-[(2,3-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 107305713
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510
2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]acetamide
CID 79784048
N-[[5-(2-methylprop-2-enoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783844
N-[[5-(3-pyrrolidin-1-ylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783048
N-[[3-[(2-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79156390

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine (CID 79783243) is N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is Clc1ccccc1COc1ccc(CNC2CC2)nc1.
What is the InChIKey of N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NILVQCFFTKHFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c17-16-4-2-1-3-12(16)11-20-15-8-7-14(19-10-15)9-18-13-5-6-13/h1-4,7-8,10,13,18H,5-6,9,11H2.
What are the key properties of N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine?
N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.78 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chlorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 79783243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).