N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine

C16H18N2O — CID 106908050

IUPACN-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc(OCc2cccc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H18N2O/c1-2-7-16(8-3-1)19-12-15-6-4-5-14(18-15)11-17-13-9-10-13/h1-8,13,17H,9-12H2
InChIKeyMDCPBCGSJXJNHX-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.91
Rot. Bonds6

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

N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106908050) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106908050
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
SMILESc1ccc(OCc2cccc(CNC3CC3)n2)cc1
InChIInChI=1S/C16H18N2O/c1-2-7-16(8-3-1)19-12-15-6-4-5-14(18-15)11-17-13-9-10-13/h1-8,13,17H,9-12H2
InChIKeyMDCPBCGSJXJNHX-UHFFFAOYSA-N
XLogP2.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[(3-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908030
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-[(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-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106206138
N-[[6-[(5-chloro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908462
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908631
2-hydroxy-N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]acetamide
CID 167239871
N-[[2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63992542
N-[[6-(2,2,3,3-tetrafluoropropoxymethyl)-2-pyridinyl]methyl]cyclopropanamine
CID 106907736

Frequently Asked Questions

What is the IUPAC name of N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine (CID 106908050) is N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine is c1ccc(OCc2cccc(CNC3CC3)n2)cc1.
What is the InChIKey of N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MDCPBCGSJXJNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-7-16(8-3-1)19-12-15-6-4-5-14(18-15)11-17-13-9-10-13/h1-8,13,17H,9-12H2.
What are the key properties of N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 254.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(phenoxymethyl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106908050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).