N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

C16H18N2O — CID 62295755

IUPACN-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccccc1Oc1ccnc(CNC2CC2)c1
InChIInChI=1S/C16H18N2O/c1-12-4-2-3-5-16(12)19-15-8-9-17-14(10-15)11-18-13-6-7-13/h2-5,8-10,13,18H,6-7,11H2,1H3
InChIKeyKCFKZZWXARGXDX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.43
Rot. Bonds5

About N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62295755) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62295755
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccccc1Oc1ccnc(CNC2CC2)c1
InChIInChI=1S/C16H18N2O/c1-12-4-2-3-5-16(12)19-15-8-9-17-14(10-15)11-18-13-6-7-13/h2-5,8-10,13,18H,6-7,11H2,1H3
InChIKeyKCFKZZWXARGXDX-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-chlorophenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295902
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
N-[[4-(2-cyclopropylethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 114157961
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
5-[[2-[(cyclopropylamino)methyl]-4-pyridinyl]oxy]-4-fluoro-2-methylindole-1-carboxylic acid
CID 67537767
N-[[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102723120
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[[4-(2,3-dimethylphenoxy)-2-methylphenyl]methyl]cyclopropanamine
CID 63551432
N-[[4-(4,4,4-trifluorobutoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82791835
N-[[4-(3,3,5-trimethylcyclohexyl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62290018

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 62295755) is N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1ccccc1Oc1ccnc(CNC2CC2)c1.
What is the InChIKey of N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KCFKZZWXARGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-4-2-3-5-16(12)19-15-8-9-17-14(10-15)11-18-13-6-7-13/h2-5,8-10,13,18H,6-7,11H2,1H3.
What are the key properties of N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 254.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62295755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).