N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

C17H19ClN2O — CID 106908462

IUPACN-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)cc1OCc1cccc(CNC2CC2)n1
InChIInChI=1S/C17H19ClN2O/c1-12-5-6-13(18)9-17(12)21-11-16-4-2-3-15(20-16)10-19-14-7-8-14/h2-6,9,14,19H,7-8,10-11H2,1H3
InChIKeyAYPJPHMQVGTVKM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.87
Rot. Bonds6

About N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine

N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106908462) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106908462
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)cc1OCc1cccc(CNC2CC2)n1
InChIInChI=1S/C17H19ClN2O/c1-12-5-6-13(18)9-17(12)21-11-16-4-2-3-15(20-16)10-19-14-7-8-14/h2-6,9,14,19H,7-8,10-11H2,1H3
InChIKeyAYPJPHMQVGTVKM-UHFFFAOYSA-N
XLogP3.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
2-chloro-6-[(5-chloro-2-methylphenoxy)methyl]pyridine
CID 79243153
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
1-[6-[(2,4-dichlorophenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908117
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63992542
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
N-[[6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79262671
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
N-methyl-1-[6-[(2-methyl-5-propan-2-ylphenoxy)methyl]-2-pyridinyl]methanamine
CID 106908248

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106908462) is N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Cl)cc1OCc1cccc(CNC2CC2)n1.
What is the InChIKey of N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AYPJPHMQVGTVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-5-6-13(18)9-17(12)21-11-16-4-2-3-15(20-16)10-19-14-7-8-14/h2-6,9,14,19H,7-8,10-11H2,1H3.
What are the key properties of N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 302.81 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106908462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).