N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

C17H19ClN2O — CID 80639084

IUPACN-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)cc1Oc1ncc(CNC2CC2)cc1C
InChIInChI=1S/C17H19ClN2O/c1-11-3-4-14(18)8-16(11)21-17-12(2)7-13(10-20-17)9-19-15-5-6-15/h3-4,7-8,10,15,19H,5-6,9H2,1-2H3
InChIKeyUUTSIPQUTPRTMZ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.40
Rot. Bonds5

About N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80639084) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80639084
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)cc1Oc1ncc(CNC2CC2)cc1C
InChIInChI=1S/C17H19ClN2O/c1-11-3-4-14(18)8-16(11)21-17-12(2)7-13(10-20-17)9-19-15-5-6-15/h3-4,7-8,10,15,19H,5-6,9H2,1-2H3
InChIKeyUUTSIPQUTPRTMZ-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636342
5-(chloromethyl)-2-(5-chloro-2-methylphenoxy)-3-methylpyridine
CID 80628036
N-[[6-(3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636921
N-[[3-(2,5-dichlorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406574
N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62295657
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
N-[[2-(5-fluoro-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 102990027
N-[[5-bromo-2-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62323781
N-[[5-bromo-2-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285712
N-[[6-(1-ethylpyrazol-4-yl)oxy-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 116802203
N-[[3-(3-chloro-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105407336
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 80639084) is N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Cl)cc1Oc1ncc(CNC2CC2)cc1C.
What is the InChIKey of N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UUTSIPQUTPRTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11-3-4-14(18)8-16(11)21-17-12(2)7-13(10-20-17)9-19-15-5-6-15/h3-4,7-8,10,15,19H,5-6,9H2,1-2H3.
What are the key properties of N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 302.81 g/mol, XLogP of 4.40, 5 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)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80639084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).