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

C17H20N2O — CID 106908030

IUPACN-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cccc(OCc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C17H20N2O/c1-13-4-2-7-17(10-13)20-12-16-6-3-5-15(19-16)11-18-14-8-9-14/h2-7,10,14,18H,8-9,11-12H2,1H3
InChIKeyUQSSQOGOKVLGTN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.22
Rot. Bonds6

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

N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106908030) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106908030
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1cccc(OCc2cccc(CNC3CC3)n2)c1
InChIInChI=1S/C17H20N2O/c1-13-4-2-7-17(10-13)20-12-16-6-3-5-15(19-16)11-18-14-8-9-14/h2-7,10,14,18H,8-9,11-12H2,1H3
InChIKeyUQSSQOGOKVLGTN-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106908050
N-[[6-[(4-methylsulfanylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908345
N-[[6-[(5-bromo-3-pyridinyl)oxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908393
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462
N-[[6-[(3-bromo-5-fluorophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908528
N-[[6-[(2,4-dibromophenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908411
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908631
N-[[6-(3-methoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298332
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106908030) is N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is Cc1cccc(OCc2cccc(CNC3CC3)n2)c1.
What is the InChIKey of N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UQSSQOGOKVLGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-4-2-7-17(10-13)20-12-16-6-3-5-15(19-16)11-18-14-8-9-14/h2-7,10,14,18H,8-9,11-12H2,1H3.
What are the key properties of N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 268.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106908030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).