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

C16H17ClN2O — CID 62323460

IUPACN-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)c(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C16H17ClN2O/c1-11-5-8-14(17)15(9-11)20-16-4-2-3-13(19-16)10-18-12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3
InChIKeyXFPROMOFJAPKIV-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.09
Rot. Bonds5

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

N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62323460) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62323460
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)c(Oc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C16H17ClN2O/c1-11-5-8-14(17)15(9-11)20-16-4-2-3-13(19-16)10-18-12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3
InChIKeyXFPROMOFJAPKIV-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-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
2-(chloromethyl)-6-(2-chloro-5-methylphenoxy)pyridine
CID 62239031
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 64854297
N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62296568
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]cyclopropanamine
CID 62291463
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114
N-[(6-cyclobutyloxy-2-pyridinyl)methyl]cyclopropanamine
CID 62287510
N-[[6-(3-iodophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62321870
N-[[6-(3-bromophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323390

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62323460) is N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(Cl)c(Oc2cccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is XFPROMOFJAPKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-5-8-14(17)15(9-11)20-16-4-2-3-13(19-16)10-18-12-6-7-12/h2-5,8-9,12,18H,6-7,10H2,1H3.
What are the key properties of N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(2-chloro-5-methylphenoxy)-2-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-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62323460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).