N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

C16H17ClN2O — CID 80636342

IUPACN-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-8-12(9-18-14-4-5-14)10-19-16(11)20-15-6-2-13(17)3-7-15/h2-3,6-8,10,14,18H,4-5,9H2,1H3
InChIKeyJHBKKAFVQXUATH-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.09
Rot. Bonds5

About N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine

N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 80636342) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
PubChem CID80636342
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-11-8-12(9-18-14-4-5-14)10-19-16(11)20-15-6-2-13(17)3-7-15/h2-3,6-8,10,14,18H,4-5,9H2,1H3
InChIKeyJHBKKAFVQXUATH-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(5-chloro-2-methylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80639084
N-[[6-(3,5-dimethylphenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636921
N-[[5-chloro-6-(4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62295657
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
N-[[6-(1-ethylpyrazol-4-yl)oxy-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 116802203
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
N-[[4-(4-chlorophenoxy)-6-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 81251064
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
N-[[5-bromo-2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296590
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 4720086

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine (CID 80636342) is N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(CNC2CC2)cnc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JHBKKAFVQXUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-8-12(9-18-14-4-5-14)10-19-16(11)20-15-6-2-13(17)3-7-15/h2-3,6-8,10,14,18H,4-5,9H2,1H3.
What are the key properties of N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine?
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 288.78 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 80636342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).